N-[(5-methyl-4-nitro-thiophen-2-yl)methylideneamino]-2-pyridin-1-ium-3-yl-ethanamide

Systemtic Name: N-[(5-methyl-4-nitro-thiophen-2-yl)methylideneamino]-2-pyridin-1-ium-3-yl-ethanamide Openeye Name: N-[(5-methyl-4-nitro-2-thienyl)methyleneamino]-2-pyridin-1-ium-3-yl-acetamide CAS Name: N-[(5-methyl-4-nitro-2-thiophenyl)methylideneamino]-2-(3-pyridin-1-iumyl)acetamide IUPAC Name: N-[(5-methyl-4-nitrothiophen-2-yl)methylideneamino]-2-pyridin-1-ium-3-ylacetamide Traditional Name: N-[(5-methyl-4-nitro-2-thienyl)methyleneamino]-2-pyridin-1-ium-3-yl-acetamide Formula: C13H13N4O3S+ MolecularWeight: 305.33232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C=NNC(=O)CC2=C[NH+]=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(S1)C=NNC(=O)CC2=C[NH+]=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O3S/c1-9-12(17(19)20)6-11(21-9)8-15-16-13(18)5-10-3-2-4-14-7-10/h2-4,6-8H,5H2,1H3,(H,16,18)/p+1