2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]-2-piperazin-1-iumyl]-N-[3-(3-pyridinyl)propyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-[(4-phenylphenyl)methyl]piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(4-phenylbenzyl)piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide Formula: C27H31N4O2+ MolecularWeight: 443.56064

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCC2=CN=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCC2=CN=CC=C2)CC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4O2/c32-26(29-15-5-7-21-6-4-14-28-19-21)18-25-27(33)30-16-17-31(25)20-22-10-12-24(13-11-22)23-8-2-1-3-9-23/h1-4,6,8-14,19,25H,5,7,15-18,20H2,(H,29,32)(H,30,33)/p+1/t25-/m1/s1