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

Systemtic Name: 2-[(2R)-3-oxidanylidene-1-(phenylmethyl)piperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-[(2R)-1-benzyl-3-oxo-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-[(2R)-3-oxo-1-(phenylmethyl)-2-piperazin-1-iumyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-[(2R)-1-benzyl-3-oxopiperazin-1-ium-2-yl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-[(2R)-1-benzyl-3-keto-piperazin-1-ium-2-yl]-N-(3-pyridylmethyl)acetamide Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2/c24-18(22-13-16-7-4-8-20-12-16)11-17-19(25)21-9-10-23(17)14-15-5-2-1-3-6-15/h1-8,12,17H,9-11,13-14H2,(H,21,25)(H,22,24)/p+1/t17-/m1/s1