1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propan-1-ol; methyl sulfate

Systemtic Name: 1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propan-1-ol; methyl sulfate Openeye Name: 1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propan-1-ol; methyl sulfate CAS Name: 1-cyclohexyl-3-(1-methyl-1-pyrrolidin-1-iumyl)-1-phenyl-1-propanol; methyl sulfate IUPAC Name: 1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol; methyl sulfate Traditional Name: 1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenyl-propan-1-ol; methyl sulfate Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCC1)CCC(C2CCCCC2)(C3=CC=CC=C3)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C20H32NO.CH4O4S/c1-21(15-8-9-16-21)17-14-20(22,18-10-4-2-5-11-18)19-12-6-3-7-13-19;1-5-6(2,3)4/h2,4-5,10-11,19,22H,3,6-9,12-17H2,1H3;1H3,(H,2,3,4)/q+1;/p-1