N-(5-methylpyridin-1-ium-2-yl)-2-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: N-(5-methylpyridin-1-ium-2-yl)-2-oxidanylidene-piperidine-3-carboxamide Openeye Name: N-(5-methylpyridin-1-ium-2-yl)-2-oxo-piperidine-3-carboxamide CAS Name: N-(5-methyl-2-pyridin-1-iumyl)-2-oxo-3-piperidinecarboxamide IUPAC Name: N-(5-methylpyridin-1-ium-2-yl)-2-oxopiperidine-3-carboxamide Traditional Name: 2-keto-N-(5-methylpyridin-1-ium-2-yl)nipecotamide Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NC(=O)C2CCCNC2=O

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NC(=O)C2CCCNC2=O

InChI

InChI=1S/C12H15N3O2/c1-8-4-5-10(14-7-8)15-12(17)9-3-2-6-13-11(9)16/h4-5,7,9H,2-3,6H2,1H3,(H,13,16)(H,14,15,17)/p+1