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

Systemtic Name: methyl 3-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-5-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-5-methyl-1H-indole-2-carboxylic acid methyl ester Formula: C23H26ClN4O3+ MolecularWeight: 441.93054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C23H25ClN4O3/c1-15-3-8-19-18(13-15)21(22(25-19)23(30)31-2)26-20(29)14-27-9-11-28(12-10-27)17-6-4-16(24)5-7-17/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,29)/p+1