4-(diphenylmethylidene)-1,1-dimethyl-piperidin-1-ium; methyl sulfate

Systemtic Name: 4-(diphenylmethylidene)-1,1-dimethyl-piperidin-1-ium; methyl sulfate Openeye Name: 4-benzhydrylidene-1,1-dimethyl-piperidin-1-ium; methyl sulfate CAS Name: 4-(diphenylmethylene)-1,1-dimethylpiperidin-1-ium; methyl sulfate IUPAC Name: 4-benzhydrylidene-1,1-dimethylpiperidin-1-ium; methyl sulfate Traditional Name: 4-benzhydrylidene-1,1-dimethyl-piperidin-1-ium; methyl sulfate Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC(=C(C2=CC=CC=C2)C3=CC=CC=C3)CC1)C.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H24N.CH4O4S/c1-21(2)15-13-19(14-16-21)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18;1-5-6(2,3)4/h3-12H,13-16H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1