1-(2,2-diphenylethenyl)-1-methyl-piperidin-1-ium; methanesulfonate

Systemtic Name: 1-(2,2-diphenylethenyl)-1-methyl-piperidin-1-ium; methanesulfonate Openeye Name: 1-(2,2-diphenylvinyl)-1-methyl-piperidin-1-ium; methanesulfonate CAS Name: 1-(2,2-diphenylethenyl)-1-methylpiperidin-1-ium; methanesulfonate IUPAC Name: 1-(2,2-diphenylethenyl)-1-methylpiperidin-1-ium; methanesulfonate Traditional Name: 1-(2,2-diphenylvinyl)-1-methyl-piperidin-1-ium mesylate Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)C=C(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)C=C(C2=CC=CC=C2)C3=CC=CC=C3.CS(=O)(=O)[O-]

InChI

InChI=1S/C20H24N.CH4O3S/c1-21(15-9-4-10-16-21)17-20(18-11-5-2-6-12-18)19-13-7-3-8-14-19;1-5(2,3)4/h2-3,5-8,11-14,17H,4,9-10,15-16H2,1H3;1H3,(H,2,3,4)/q+1;/p-1