3-(2,2-diphenylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; 4-methylbenzenesulfonate

Systemtic Name: 3-(2,2-diphenylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; 4-methylbenzenesulfonate Openeye Name: 3-(2,2-diphenylvinyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; 4-methylbenzenesulfonate CAS Name: 3-(2,2-diphenylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; 4-methylbenzenesulfonate IUPAC Name: 3-(2,2-diphenylethenyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane; 4-methylbenzenesulfonate Traditional Name: 3-(2,2-diphenylvinyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane tosylate Formula: C30H35NO3S MolecularWeight: 489.6688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCC1CC(C2)C=C(C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1(C2CCC1CC(C2)C=C(C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H28N.C7H8O3S/c1-24(2)21-13-14-22(24)16-18(15-21)17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20;1-6-2-4-7(5-3-6)11(8,9)10/h3-12,17-18,21-22H,13-16H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1