4-(diphenylmethyl)-1-methyl-pyridin-1-ium; methyl sulfate

Systemtic Name: 4-(diphenylmethyl)-1-methyl-pyridin-1-ium; methyl sulfate Openeye Name: 4-benzhydryl-1-methyl-pyridin-1-ium; methyl sulfate CAS Name: 4-(diphenylmethyl)-1-methylpyridin-1-ium; methyl sulfate IUPAC Name: 4-benzhydryl-1-methylpyridin-1-ium; methyl sulfate Traditional Name: 4-benzhydryl-1-methyl-pyridin-1-ium; methyl sulfate Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C(C2=CC=CC=C2)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H18N.CH4O4S/c1-20-14-12-18(13-15-20)19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5-6(2,3)4/h2-15,19H,1H3;1H3,(H,2,3,4)/q+1;/p-1