diethyl [(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] phosphate; methyl sulfate

Systemtic Name: diethyl [(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] phosphate; methyl sulfate Openeye Name: diethyl [(E)-(1-methylpyridin-1-ium-2-yl)methyleneamino] phosphate; methyl sulfate CAS Name: methyl sulfate; phosphoric acid diethyl [(E)-(1-methyl-2-pyridin-1-iumyl)methylideneamino] ester IUPAC Name: diethyl [(E)-(1-methylpyridin-1-ium-2-yl)methylideneamino] phosphate; methyl sulfate Traditional Name: methyl sulfate; phosphoric acid diethyl [(E)-(1-methylpyridin-1-ium-2-yl)methyleneamino] ester Formula: C12H21N2O8PS MolecularWeight: 384.342501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OCC)ON=CC1=CC=CC=[N+]1C.COS(=O)(=O)[O-]

Isomeric SMILES

CCOP(=O)(OCC)O/N=C/C1=CC=CC=[N+]1C.COS(=O)(=O)[O-]

InChI

InChI=1S/C11H18N2O4P.CH4O4S/c1-4-15-18(14,16-5-2)17-12-10-11-8-6-7-9-13(11)3;1-5-6(2,3)4/h6-10H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/b12-10+;