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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)ethanamide Openeye Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide CAS Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)-2-piperazin-1-iumyl]-N-[3-(3-pyridinyl)propyl]acetamide IUPAC Name: 2-[(2R)-3-oxo-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-(3-pyridin-3-ylpropyl)acetamide Traditional Name: 2-[(2R)-3-keto-1-(3-phenylpropyl)piperazin-1-ium-2-yl]-N-[3-(3-pyridyl)propyl]acetamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCCCC2=CN=CC=C2)CCCC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCCCC2=CN=CC=C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c28-22(25-13-5-10-20-9-4-12-24-18-20)17-21-23(29)26-14-16-27(21)15-6-11-19-7-2-1-3-8-19/h1-4,7-9,12,18,21H,5-6,10-11,13-17H2,(H,25,28)(H,26,29)/p+1/t21-/m1/s1