Chem
J-GLOBAL ID：201807007409733594   Nikkaji number：J3.726.491A

3-Vinyl-3-deethyl-22-methyl-22-azoniarhodochlorin

3-ビニル-3-デエチル-22-メチル-22-アゾニアロドクロリン
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： C33H37N3[N+]O4
Molecular formula furigana： C33-H37-N4-O4
Molecular weight： 553.682
InChI： InChI=1S/C33H36N4O4/c1-8-20-16(3)23-12-24-17(4)22(10-11-31(38)39)26(34-24)13-28-32(33(40)41)19(6)25(36-28)14-30-21(9-2)18(5)29(37(30)7)15-27(20)35-23/h8,12-15,17,22H,1,9-11H2,2-7H3,(H3,34,35,36,38,39,40,41)/p+1/t17-,22-/m0/s1
InChI key： MIBDEVRCZPQOJX-JTSKRJEESA-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)O)C)c(c1C)C(=O)O)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
  • (9S,10S)-5-カルボキシ-9-(2-カルボキシエチル)-15-エテニル-20-エチル-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)-5-carboxy-9-(2-carboxyethyl)-15-ethenyl-20-ethyl-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
Thsaurus map：
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