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

Systemtic Name: methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxopropyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propanoylamino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C24H28ClN4O4+ MolecularWeight: 471.95652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)CC[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C24H27ClN4O4/c1-32-19-8-4-7-18-21(19)22(23(26-18)24(31)33-2)27-20(30)9-10-28-11-13-29(14-12-28)17-6-3-5-16(25)15-17/h3-8,15,26H,9-14H2,1-2H3,(H,27,30)/p+1