methyl 1-oxidanylidene-2-(1-phenylmethoxycarbonylpiperazin-1-ium-1-yl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-(1-phenylmethoxycarbonylpiperazin-1-ium-1-yl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(1-benzyloxycarbonylpiperazin-1-ium-1-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-(1-phenylmethoxycarbonyl-1-piperazin-1-iumyl)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-(1-phenylmethoxycarbonylpiperazin-1-ium-1-yl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(1-carbobenzoxypiperazin-1-ium-1-yl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C32H34N3O8+ MolecularWeight: 588.62766

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)[N+]4(CCNCC4)C(=O)OCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)[N+]4(CCNCC4)C(=O)OCC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C32H34N3O8/c1-39-25-18-22(19-26(40-2)29(25)41-3)27-23-12-8-9-13-24(23)30(36)34(28(27)31(37)42-4)35(16-14-33-15-17-35)32(38)43-20-21-10-6-5-7-11-21/h5-13,18-19,33H,14-17,20H2,1-4H3/q+1