methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[(5-nitro-2-oxidanylidene-pyridin-1-yl)methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[(5-nitro-2-oxo-1-pyridyl)methyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[(5-nitro-2-oxo-1-pyridinyl)methyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[(5-nitro-2-oxopyridin-1-yl)methyl]-(thiophen-3-ylmethyl)azanium Traditional Name: (2-keto-5-nitro-1-pyridyl)methyl-methyl-(3-thenyl)ammonium Formula: C12H14N3O3S+ MolecularWeight: 280.32286

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CN2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

C[NH+](CC1=CSC=C1)CN2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-13(6-10-4-5-19-8-10)9-14-7-11(15(17)18)2-3-12(14)16/h2-5,7-8H,6,9H2,1H3/p+1