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

Systemtic Name: methyl 4-chloranyl-3-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 4-chloro-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 4-chloro-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-chloro-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 4-chloro-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H28ClN4O3+ MolecularWeight: 455.95712

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=C3C(=CC=C4)Cl)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=C3C(=CC=C4)Cl)C(=O)OC

InChI

InChI=1S/C24H27ClN4O3/c1-15-6-4-7-17(12-15)29-11-10-28(13-16(29)2)14-20(30)27-22-21-18(25)8-5-9-19(21)26-23(22)24(31)32-3/h4-9,12,16,26H,10-11,13-14H2,1-3H3,(H,27,30)/p+1/t16-/m0/s1