1-[(4-methylphenyl)methyl]pyridin-1-ium sulfate

Systemtic Name: 1-[(4-methylphenyl)methyl]pyridin-1-ium sulfate Openeye Name: 1-(p-tolylmethyl)pyridin-1-ium sulfate CAS Name: 1-[(4-methylphenyl)methyl]pyridin-1-ium sulfate IUPAC Name: 1-[(4-methylphenyl)methyl]pyridin-1-ium sulfate Traditional Name: 1-(4-methylbenzyl)pyridin-1-ium sulfate Formula: C26H28N2O4S MolecularWeight: 464.57652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CC=CC=C2.CC1=CC=C(C=C1)C[N+]2=CC=CC=C2.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CC=CC=C2.CC1=CC=C(C=C1)C[N+]2=CC=CC=C2.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C13H14N.H2O4S/c2*1-12-5-7-13(8-6-12)11-14-9-3-2-4-10-14;1-5(2,3)4/h2*2-10H,11H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2