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

Systemtic Name: methyl 3-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methyl-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methyl-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methyl-1H-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)NC(=C2NC(=O)C[NH+]3CCN(CC3)C4=C(C=CC(=C4)Cl)C)C(=O)OC

Isomeric SMILES

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

InChI

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