methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate

Systemtic Name: methyl 3-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-1,4-dimethyl-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylate CAS Name: 3-[[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1,4-dimethyl-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethylindole-2-carboxylate Traditional Name: 3-[[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1,4-dimethyl-indole-2-carboxylic acid methyl ester Formula: C24H28ClN4O3+ MolecularWeight: 455.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OC)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC(=CC=C4)Cl)C(=O)OC)C

InChI

InChI=1S/C24H27ClN4O3/c1-16-6-4-9-19-21(16)22(23(27(19)2)24(31)32-3)26-20(30)15-28-10-12-29(13-11-28)18-8-5-7-17(25)14-18/h4-9,14H,10-13,15H2,1-3H3,(H,26,30)/p+1