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

Systemtic Name: N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline sulfate Openeye Name: N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methyleneamino]aniline sulfate CAS Name: N-methyl-N-[(E)-(1-methyl-4-pyridin-1-iumyl)methylideneamino]aniline sulfate IUPAC Name: N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline sulfate Traditional Name: methyl-[(E)-(1-methylpyridin-1-ium-4-yl)methyleneamino]-phenyl-amine sulfate Formula: C28H32N6O4S MolecularWeight: 548.65648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H16N3.H2O4S/c2*1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-5(2,3)4/h2*3-12H,1-2H3;(H2,1,2,3,4)/q2*+1;/p-2