N-(5-methylpyridin-1-ium-2-yl)-3-(3-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(5-methylpyridin-1-ium-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Openeye Name: N-(5-methylpyridin-1-ium-2-yl)-3-(3-nitropyrazol-1-yl)propanamide CAS Name: N-(5-methyl-2-pyridin-1-iumyl)-3-(3-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(5-methylpyridin-1-ium-2-yl)-3-(3-nitropyrazol-1-yl)propanamide Traditional Name: N-(5-methylpyridin-1-ium-2-yl)-3-(3-nitropyrazol-1-yl)propionamide Formula: C12H14N5O3+ MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O3/c1-9-2-3-10(13-8-9)14-12(18)5-7-16-6-4-11(15-16)17(19)20/h2-4,6,8H,5,7H2,1H3,(H,13,14,18)/p+1