2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-isoquinolin-1-one

Systemtic Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbonyl-isoquinolin-1-one Openeye Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)isoquinolin-1-one CAS Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-1-isoquinolinone IUPAC Name: 2-(4-ethoxyphenyl)-6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)isoquinolin-1-one Traditional Name: 6,7-dimethoxy-4-(4-methylpiperazin-4-ium-1-carbonyl)-2-p-phenetyl-isocarbostyril Formula: C25H30N3O5+ MolecularWeight: 452.5228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H29N3O5/c1-5-33-18-8-6-17(7-9-18)28-16-21(24(29)27-12-10-26(2)11-13-27)19-14-22(31-3)23(32-4)15-20(19)25(28)30/h6-9,14-16H,5,10-13H2,1-4H3/p+1