1-[3-(cyclohexen-1-yl)-3-phenyl-propyl]-1-methyl-piperidin-1-ium; methyl sulfate

Systemtic Name: 1-[3-(cyclohexen-1-yl)-3-phenyl-propyl]-1-methyl-piperidin-1-ium; methyl sulfate Openeye Name: 1-[3-(cyclohexen-1-yl)-3-phenyl-propyl]-1-methyl-piperidin-1-ium; methyl sulfate CAS Name: 1-[3-(1-cyclohexenyl)-3-phenylpropyl]-1-methylpiperidin-1-ium; methyl sulfate IUPAC Name: 1-[3-(cyclohexen-1-yl)-3-phenylpropyl]-1-methylpiperidin-1-ium; methyl sulfate Traditional Name: 1-[3-(cyclohexen-1-yl)-3-phenyl-propyl]-1-methyl-piperidin-1-ium; methyl sulfate Formula: C22H35NO4S MolecularWeight: 409.5826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCC1)CCC(C2=CCCCC2)C3=CC=CC=C3.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1(CCCCC1)CCC(C2=CCCCC2)C3=CC=CC=C3.COS(=O)(=O)[O-]

InChI

InChI=1S/C21H32N.CH4O4S/c1-22(16-9-4-10-17-22)18-15-21(19-11-5-2-6-12-19)20-13-7-3-8-14-20;1-5-6(2,3)4/h2,5-6,11-13,21H,3-4,7-10,14-18H2,1H3;1H3,(H,2,3,4)/q+1;/p-1