2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(4-cyanophenyl)carbonylpiperazin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-[(4-cyanophenyl)-oxomethyl]-1-piperazin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(4-cyanobenzoyl)piperazin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H22N4O2/c1-13(2)19-16(22)12-20-7-9-21(10-8-20)17(23)15-5-3-14(11-18)4-6-15/h3-6,13H,7-10,12H2,1-2H3,(H,19,22)/p+1