2-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-[(5-methyl-1,2-oxazol-3-yl)carbonyl]piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(5-methylisoxazole-3-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-[(5-methyl-3-isoxazolyl)-oxomethyl]-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(5-methyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(5-methylisoxazole-3-carbonyl)piperazino]pyridin-1-ium-3-carbonitrile Formula: C15H16N5O2+ MolecularWeight: 298.31984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N5O2/c1-11-9-13(18-22-11)15(21)20-7-5-19(6-8-20)14-12(10-16)3-2-4-17-14/h2-4,9H,5-8H2,1H3/p+1