2,3,11-trimethoxy-5-(phenylmethyl)isoquinolino[2,1-b]isoquinolin-7-ium-9-ol chloride

Systemtic Name: 2,3,11-trimethoxy-5-(phenylmethyl)isoquinolino[2,1-b]isoquinolin-7-ium-9-ol chloride Openeye Name: 5-benzyl-2,3,11-trimethoxy-isoquinolino[2,1-b]isoquinolin-7-ium-9-ol chloride CAS Name: 2,3,11-trimethoxy-5-(phenylmethyl)-9-isoquinolino[2,1-b]isoquinolin-7-iumol chloride IUPAC Name: 5-benzyl-2,3,11-trimethoxyisoquinolino[2,1-b]isoquinolin-7-ium-9-ol chloride Traditional Name: 5-benzyl-2,3,11-trimethoxy-isoquinolin[2,1-b]isoquinolin-7-ium-9-ol chloride Formula: C27H24ClNO4 MolecularWeight: 461.93676

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC3=[N+](C=C(C4=CC(=C(C=C43)OC)OC)CC5=CC=CC=C5)C=C2C(=C1)O.[Cl-]

Isomeric SMILES

COC1=CC2=CC3=[N+](C=C(C4=CC(=C(C=C43)OC)OC)CC5=CC=CC=C5)C=C2C(=C1)O.[Cl-]

InChI

InChI=1S/C27H23NO4.ClH/c1-30-20-10-18-11-24-22-14-27(32-3)26(31-2)13-21(22)19(9-17-7-5-4-6-8-17)15-28(24)16-23(18)25(29)12-20;/h4-8,10-16H,9H2,1-3H3;1H