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

Systemtic Name: N-(2-methylpropyl)-2-[4-(4-pyrrol-1-ylphenyl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-isobutyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-methylpropyl)-2-[4-[oxo-[4-(1-pyrrolyl)phenyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-methylpropyl)-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-isobutyl-2-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H29N4O2+ MolecularWeight: 369.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)N3C=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-17(2)15-22-20(26)16-23-11-13-25(14-12-23)21(27)18-5-7-19(8-6-18)24-9-3-4-10-24/h3-10,17H,11-16H2,1-2H3,(H,22,26)/p+1