3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(5-methylpyridin-1-ium-2-yl)propanamide

Systemtic Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(5-methylpyridin-1-ium-2-yl)propanamide Openeye Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(5-methylpyridin-1-ium-2-yl)propanamide CAS Name: 3-(5-methyl-3-nitro-1-pyrazolyl)-N-(5-methyl-2-pyridin-1-iumyl)propanamide IUPAC Name: 3-(5-methyl-3-nitropyrazol-1-yl)-N-(5-methylpyridin-1-ium-2-yl)propanamide Traditional Name: 3-(5-methyl-3-nitro-pyrazol-1-yl)-N-(5-methylpyridin-1-ium-2-yl)propionamide Formula: C13H16N5O3+ MolecularWeight: 290.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(C=C1)NC(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C[NH+]=C(C=C1)NC(=O)CCN2C(=CC(=N2)[N+](=O)[O-])C

InChI

InChI=1S/C13H15N5O3/c1-9-3-4-11(14-8-9)15-13(19)5-6-17-10(2)7-12(16-17)18(20)21/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,19)/p+1