Chem
J-GLOBAL ID：201007042927031260   Nikkaji number：J2.834.685I

(S)-6,7-Dihydroxy-2,2-bis[(E)-3,7-dimethyl-2,6-octadienyl]-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-ium

(S)-6,7-ジヒドロキシ-2,2-ビス[(E)-3,7-ジメチル-2,6-オクタジエニル]-1-メチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
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： C30H46[N+]O2
Molecular formula furigana： C30-H46-N-O2
Molecular weight： 452.702
InChI： InChI=1S/C30H45NO2/c1-22(2)10-8-12-24(5)14-17-31(18-15-25(6)13-9-11-23(3)4)19-16-27-20-29(32)30(33)21-28(27)26(31)7/h10-11,14-15,20-21,26H,8-9,12-13,16-19H2,1-7H3,(H-,32,33)/p+1/b24-14+,25-15+/t26-/m0/s1
InChI key： PJGAIJDXJPNTFH-RWXCFQDUSA-O
SMILES： C[C@H]1c2cc(O)c(O)cc2CC[N+]1(C/C=C(\C)/CCC=C(C)C)C/C=C(\C)/CCC=C(C)C
Systematic name  (3)：
  • (S)-6,7-ジヒドロキシ-2,2-ビス[(E)-3,7-ジメチル-2,6-オクタジエニル]-1-メチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
  • (1S)-2,2-ビス[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-6,7-ジヒドロキシ-1-メチル-1,2,3,4-テトラヒドロイソキノリン-2-イウム
  • (1S)-2,2-bis[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6,7-dihydroxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-2-ium
Other name (1)：
  • (S)-6,7-Dihydroxy-2,2-bis[(E)-3,7-dimethyl-2,6-octadienyl]-1-methyl-1,2,3,4-tetrahydroisoquinoline-2-ium
Thsaurus map：
Thesaurus Map

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