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

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[4-(2,3-dimethylphenyl)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:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC)C

InChI

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