(2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(diphenylmethyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: (2S)-N-(4-acetylphenyl)-2-(4-benzhydrylpiperazin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(4-acetylphenyl)-2-[4-(diphenylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-2-(4-benzhydrylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-(4-benzhydrylpiperazin-1-ium-1-yl)propionamide Formula: C28H32N3O2+ MolecularWeight: 442.57258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)C)[NH+]2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2/c1-21(28(33)29-26-15-13-23(14-16-26)22(2)32)30-17-19-31(20-18-30)27(24-9-5-3-6-10-24)25-11-7-4-8-12-25/h3-16,21,27H,17-20H2,1-2H3,(H,29,33)/p+1/t21-/m0/s1