N-cyclopropyl-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C20H24N4O2/c25-19(21-17-5-6-17)15-22-11-13-24(14-12-22)20(26)16-3-7-18(8-4-16)23-9-1-2-10-23/h1-4,7-10,17H,5-6,11-15H2,(H,21,25)/p+1