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

Systemtic Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-6-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C23H26ClN4O4+ MolecularWeight: 457.92994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H25ClN4O4/c1-31-17-6-7-18-19(13-17)25-22(23(30)32-2)21(18)26-20(29)14-27-8-10-28(11-9-27)16-5-3-4-15(24)12-16/h3-7,12-13,25H,8-11,14H2,1-2H3,(H,26,29)/p+1