N-[(1S)-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-1-phenyl-propyl]benzamide

Systemtic Name: N-[(1S)-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: N-[(1S)-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-1-phenyl-propyl]benzamide CAS Name: N-[(1S)-3-[4-[(4-cyanophenyl)methyl]-1-piperazin-4-iumyl]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: N-[(1S)-3-[4-[(4-cyanophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-1-phenylpropyl]benzamide Traditional Name: N-[(1S)-3-[4-(4-cyanobenzyl)piperazin-4-ium-1-yl]-3-keto-1-phenyl-propyl]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)CC(C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O2/c29-20-22-11-13-23(14-12-22)21-31-15-17-32(18-16-31)27(33)19-26(24-7-3-1-4-8-24)30-28(34)25-9-5-2-6-10-25/h1-14,26H,15-19,21H2,(H,30,34)/p+1/t26-/m0/s1