methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5,6-dimethoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5,6-dimethoxy-1H-indole-2-carboxylic acid methyl ester Formula: C24H28ClN4O5+ MolecularWeight: 487.95592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)OC

InChI

InChI=1S/C24H27ClN4O5/c1-32-19-12-17-18(13-20(19)33-2)26-23(24(31)34-3)22(17)27-21(30)14-28-7-9-29(10-8-28)16-6-4-5-15(25)11-16/h4-6,11-13,26H,7-10,14H2,1-3H3,(H,27,30)/p+1