2-(5-methyl-3-nitro-pyrazol-1-yl)-N-quinolin-1-ium-3-yl-ethanamide

Systemtic Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-quinolin-1-ium-3-yl-ethanamide Openeye Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-quinolin-1-ium-3-yl-acetamide CAS Name: 2-(5-methyl-3-nitro-1-pyrazolyl)-N-(3-quinolin-1-iumyl)acetamide IUPAC Name: 2-(5-methyl-3-nitropyrazol-1-yl)-N-quinolin-1-ium-3-ylacetamide Traditional Name: 2-(5-methyl-3-nitro-pyrazol-1-yl)-N-quinolin-1-ium-3-yl-acetamide Formula: C15H14N5O3+ MolecularWeight: 312.30336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(=O)NC2=CC3=CC=CC=C3[NH+]=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(=O)NC2=CC3=CC=CC=C3[NH+]=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O3/c1-10-6-14(20(22)23)18-19(10)9-15(21)17-12-7-11-4-2-3-5-13(11)16-8-12/h2-8H,9H2,1H3,(H,17,21)/p+1