N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; methyl sulfate

Systemtic Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; methyl sulfate Openeye Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]aniline; methyl sulfate CAS Name: N,N-dimethyl-4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]aniline; methyl sulfate IUPAC Name: N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline; methyl sulfate Traditional Name: dimethyl-[4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]phenyl]amine; methyl sulfate Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CC=C(C=C2)N(C)C.COS(=O)(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19N2.CH4O4S/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15;1-5-6(2,3)4/h4-13H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1