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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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