N-[(2R)-1-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide

Systemtic Name: N-[(2R)-1-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-oxidanylidene-3-phenyl-propan-2-yl]benzamide Openeye Name: N-[(1R)-1-benzyl-2-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]benzamide CAS Name: N-[(2R)-1-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-1-oxo-3-phenylpropan-2-yl]benzamide IUPAC Name: N-[(2R)-1-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide Traditional Name: N-[(1R)-1-benzyl-2-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]benzamide Formula: C28H29N4O2+ MolecularWeight: 453.55546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O2/c29-20-23-11-13-24(14-12-23)21-31-15-17-32(18-16-31)28(34)26(19-22-7-3-1-4-8-22)30-27(33)25-9-5-2-6-10-25/h1-14,26H,15-19,21H2,(H,30,33)/p+1/t26-/m1/s1