Chem
J-GLOBAL ID：201807007681514249   Nikkaji number：J3.726.499G

3-Vinyl-3-deethyl-22-methyl-22-azoniarhodochlorin dimethyl ester

3-ビニル-3-デエチル-22-メチル-22-アゾニアロドクロリンジメチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C35H41N3[N+]O4
Molecular formula furigana： C35-H41-N4-O4
Molecular weight： 581.736
InChI： InChI=1S/C35H40N4O4/c1-10-22-18(3)25-14-26-19(4)24(12-13-33(40)42-8)28(36-26)15-30-34(35(41)43-9)21(6)27(38-30)16-32-23(11-2)20(5)31(39(32)7)17-29(22)37-25/h10,14-17,19,24H,1,11-13H2,2-9H3,(H,36,37,38,41)/p+1/t19-,24-/m0/s1
InChI key： WYXCMDWOMKMPJW-CYFREDJKSA-O
SMILES： CCC1=C(C)C2=[N+](/C/1=C\c1[nH]c(/C=C/3\N=C(/C=c/4\[nH]/c(=C\2)/c(c4C)C=C)[C@H]([C@@H]3CCC(=O)OC)C)c(c1C)C(=O)OC)C
Systematic name  (3)：
  • 3-ビニル-3-デエチル-22-メチル-22-アゾニアロドクロリンジメチル
  • (9S,10S)-15-エテニル-20-エチル-9-(3-メトキシ-3-オキソプロピル)-5-(メトキシカルボニル)-4,10,14,19,21-ペンタメチル-21,22,23,24-テトラアザペンタシクロ[16.2.1.13,6.18,11.113,16]テトラコサ-1,3,5,7,11(23),12,14,16,18(21),19-デカエン-21-イウム
  • (9S,10S)-15-ethenyl-20-ethyl-9-(3-methoxy-3-oxopropyl)-5-(methoxycarbonyl)-4,10,14,19,21-pentamethyl-21,22,23,24-tetraazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,11(23),12,14,16,18(21),19-decaen-21-ium
Other name (1)：
  • 3-Vinyl-3-deethyl-22-methyl-22-azoniarhodochlorin dimethyl ester
Thsaurus map：
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