(2S)-N-(4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-cyanophenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-cyanophenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C20H23N4O+ MolecularWeight: 335.42282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O/c1-16(20(25)22-18-9-7-17(15-21)8-10-18)23-11-13-24(14-12-23)19-5-3-2-4-6-19/h2-10,16H,11-14H2,1H3,(H,22,25)/p+1/t16-/m0/s1