N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide

Systemtic Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanoyl]-1-methyl-pyrrole-2-carboxamide Openeye Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-1-methyl-pyrrole-2-carboxamide CAS Name: N-[2-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-1-methyl-2-pyrrolecarboxamide IUPAC Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-1-methylpyrrole-2-carboxamide Traditional Name: N-[2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]acetyl]-1-methyl-pyrrole-2-carboxamide Formula: C18H22ClN4O2+ MolecularWeight: 361.84588

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CN1C=CC=C1C(=O)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O2/c1-21-7-3-6-16(21)18(25)20-17(24)13-22-8-10-23(11-9-22)15-5-2-4-14(19)12-15/h2-7,12H,8-11,13H2,1H3,(H,20,24,25)/p+1