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

Systemtic Name: methyl 5-bromanyl-3-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-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 5-bromo-3-[[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[(3S)-3-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C24H28BrN4O3+ MolecularWeight: 500.40812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27BrN4O3/c1-15-5-4-6-18(11-15)29-10-9-28(13-16(29)2)14-21(30)27-22-19-12-17(25)7-8-20(19)26-23(22)24(31)32-3/h4-8,11-12,16,26H,9-10,13-14H2,1-3H3,(H,27,30)/p+1/t16-/m0/s1