(2R)-N-(2-cyanophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-cyanophenyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-cyanophenyl)propionamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C#N)[NH+]2CCN(CC2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2/c1-16(20(26)23-19-10-6-5-9-18(19)15-22)24-11-13-25(14-12-24)21(27)17-7-3-2-4-8-17/h2-10,16H,11-14H2,1H3,(H,23,26)/p+1/t16-/m1/s1