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

Systemtic Name: methyl 5-bromanyl-3-[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 5-bromo-3-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 5-bromo-3-[[2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 5-bromo-3-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 5-bromo-3-[[2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H23BrClN4O3+ MolecularWeight: 506.80002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H22BrClN4O3/c1-31-22(30)21-20(17-12-14(23)2-7-18(17)25-21)26-19(29)13-27-8-10-28(11-9-27)16-5-3-15(24)4-6-16/h2-7,12,25H,8-11,13H2,1H3,(H,26,29)/p+1