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

Systemtic Name: methyl 3-[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-1H-indole-2-carboxylic acid methyl ester Formula: C22H23Cl2N4O3+ MolecularWeight: 462.34902

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N1)NC(=O)C[NH+]3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H22Cl2N4O3/c1-31-22(30)21-20(15-4-2-3-5-18(15)25-21)26-19(29)13-27-8-10-28(11-9-27)14-6-7-16(23)17(24)12-14/h2-7,12,25H,8-11,13H2,1H3,(H,26,29)/p+1