methyl sulfate; 3,4,4-trimethoxy-1-methyl-1-(phenylmethyl)piperidin-1-ium

Systemtic Name: methyl sulfate; 3,4,4-trimethoxy-1-methyl-1-(phenylmethyl)piperidin-1-ium Openeye Name: 1-benzyl-3,4,4-trimethoxy-1-methyl-piperidin-1-ium; methyl sulfate CAS Name: methyl sulfate; 3,4,4-trimethoxy-1-methyl-1-(phenylmethyl)piperidin-1-ium IUPAC Name: 1-benzyl-3,4,4-trimethoxy-1-methylpiperidin-1-ium; methyl sulfate Traditional Name: 1-benzyl-3,4,4-trimethoxy-1-methyl-piperidin-1-ium; methyl sulfate Formula: C17H29NO7S MolecularWeight: 391.47966

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(C(C1)OC)(OC)OC)CC2=CC=CC=C2.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCC(C(C1)OC)(OC)OC)CC2=CC=CC=C2.COS(=O)(=O)[O-]

InChI

InChI=1S/C16H26NO3.CH4O4S/c1-17(12-14-8-6-5-7-9-14)11-10-16(19-3,20-4)15(13-17)18-2;1-5-6(2,3)4/h5-9,15H,10-13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1