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

Systemtic Name: N-cyclobutyl-2-[(2R)-3-oxidanylidene-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]ethanamide Openeye Name: N-cyclobutyl-2-[(2R)-3-oxo-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide CAS Name: N-cyclobutyl-2-[(2R)-3-oxo-1-(3-pyridinylmethyl)-2-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclobutyl-2-[(2R)-3-oxo-1-(pyridin-3-ylmethyl)piperazin-1-ium-2-yl]acetamide Traditional Name: N-cyclobutyl-2-[(2R)-3-keto-1-(3-pyridylmethyl)piperazin-1-ium-2-yl]acetamide Formula: C16H23N4O2+ MolecularWeight: 303.37942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC(=O)CC2C(=O)NCC[NH+]2CC3=CN=CC=C3

Isomeric SMILES

C1CC(C1)NC(=O)C[C@@H]2C(=O)NCC[NH+]2CC3=CN=CC=C3

InChI

InChI=1S/C16H22N4O2/c21-15(19-13-4-1-5-13)9-14-16(22)18-7-8-20(14)11-12-3-2-6-17-10-12/h2-3,6,10,13-14H,1,4-5,7-9,11H2,(H,18,22)(H,19,21)/p+1/t14-/m1/s1