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

Systemtic Name: methyl 3-[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]ethanoylamino]-4-methoxy-1H-indole-2-carboxylate Openeye Name: methyl 3-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate CAS Name: 3-[[2-[4-(3,4-dichlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylate Traditional Name: 3-[[2-[4-(3,4-dichlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-4-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C23H25Cl2N4O4+ MolecularWeight: 492.375

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

COC1=CC=CC2=C1C(=C(N2)C(=O)OC)NC(=O)C[NH+]3CCN(CC3)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C23H24Cl2N4O4/c1-32-18-5-3-4-17-20(18)21(22(26-17)23(31)33-2)27-19(30)13-28-8-10-29(11-9-28)14-6-7-15(24)16(25)12-14/h3-7,12,26H,8-11,13H2,1-2H3,(H,27,30)/p+1