4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline; methyl sulfate

Systemtic Name: 4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline; methyl sulfate Openeye Name: 4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methyleneamino]aniline; methyl sulfate CAS Name: 4-methoxy-N-methyl-N-[(E)-(1-methyl-4-pyridin-1-iumyl)methylideneamino]aniline; methyl sulfate IUPAC Name: 4-methoxy-N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline; methyl sulfate Traditional Name: (4-methoxyphenyl)-methyl-[(E)-(1-methylpyridin-1-ium-4-yl)methyleneamino]amine; methyl sulfate Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=NN(C)C2=CC=C(C=C2)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=N/N(C)C2=CC=C(C=C2)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C15H18N3O.CH4O4S/c1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1