4-(3-cyanopyridin-1-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide

Systemtic Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide Openeye Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(5-methylisoxazol-3-yl)piperazine-1-carboxamide CAS Name: 4-(3-cyano-2-pyridin-1-iumyl)-N-(5-methyl-3-isoxazolyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide Traditional Name: 4-(3-cyanopyridin-1-ium-2-yl)-N-(5-methylisoxazol-3-yl)piperazine-1-carboxamide Formula: C15H17N6O2+ MolecularWeight: 313.33448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

CC1=CC(=NO1)NC(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C15H16N6O2/c1-11-9-13(19-23-11)18-15(22)21-7-5-20(6-8-21)14-12(10-16)3-2-4-17-14/h2-4,9H,5-8H2,1H3,(H,18,19,22)/p+1