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

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C23H26BrN4O4+ MolecularWeight: 502.38094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC

InChI

InChI=1S/C23H25BrN4O4/c1-31-19-6-4-3-5-18(19)28-11-9-27(10-12-28)14-20(29)26-21-16-13-15(24)7-8-17(16)25-22(21)23(30)32-2/h3-8,13,25H,9-12,14H2,1-2H3,(H,26,29)/p+1