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

Systemtic Name: (2S)-N-(2-ethanoylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(2-acetylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(2-acetylphenyl)-2-(4-phenyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2S)-N-(2-acetylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(2-acetylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)propionamide Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O2/c1-16(21(26)22-20-11-7-6-10-19(20)17(2)25)23-12-14-24(15-13-23)18-8-4-3-5-9-18/h3-11,16H,12-15H2,1-2H3,(H,22,26)/p+1/t16-/m0/s1