[2,6-dimethyl-1-(4-oxidanyl-4,4-diphenyl-butyl)piperidin-1-ium-1-yl] methanesulfonate

Systemtic Name: [2,6-dimethyl-1-(4-oxidanyl-4,4-diphenyl-butyl)piperidin-1-ium-1-yl] methanesulfonate Openeye Name: [1-(4-hydroxy-4,4-diphenyl-butyl)-2,6-dimethyl-piperidin-1-ium-1-yl] methanesulfonate CAS Name: methanesulfonic acid [1-(4-hydroxy-4,4-diphenylbutyl)-2,6-dimethyl-1-piperidin-1-iumyl] ester IUPAC Name: [1-(4-hydroxy-4,4-diphenylbutyl)-2,6-dimethylpiperidin-1-ium-1-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(4-hydroxy-4,4-diphenyl-butyl)-2,6-dimethyl-piperidin-1-ium-1-yl] ester Formula: C24H34NO4S+ MolecularWeight: 432.59606

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([N+]1(CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)OS(=O)(=O)C)C

Isomeric SMILES

CC1CCCC([N+]1(CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O)OS(=O)(=O)C)C

InChI

InChI=1S/C24H34NO4S/c1-20-12-10-13-21(2)25(20,29-30(3,27)28)19-11-18-24(26,22-14-6-4-7-15-22)23-16-8-5-9-17-23/h4-9,14-17,20-21,26H,10-13,18-19H2,1-3H3/q+1