4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzaldehyde sulfate

Systemtic Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzaldehyde sulfate Openeye Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzaldehyde sulfate CAS Name: 4-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]benzaldehyde sulfate IUPAC Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]benzaldehyde sulfate Traditional Name: 4-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]benzaldehyde sulfate Formula: C30H28N2O6S MolecularWeight: 544.61812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C15H14NO.H2O4S/c2*1-16-10-8-14(9-11-16)3-2-13-4-6-15(12-17)7-5-13;1-5(2,3)4/h2*2-12H,1H3;(H2,1,2,3,4)/q2*+1;/p-2/b2*3-2+;