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

Systemtic Name: methyl 3-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 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 3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

C[C@H]1C[NH+](CCN1C2=CC=CC(=C2)C)CC(=O)NC3=C(NC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-16-7-6-8-18(13-16)28-12-11-27(14-17(28)2)15-21(29)26-22-19-9-4-5-10-20(19)25-23(22)24(30)31-3/h4-10,13,17,25H,11-12,14-15H2,1-3H3,(H,26,29)/p+1/t17-/m0/s1