1-(1,1-diphenylpiperidin-1-ium-3-yl)propyl methanesulfonate

Systemtic Name: 1-(1,1-diphenylpiperidin-1-ium-3-yl)propyl methanesulfonate Openeye Name: 1-(1,1-diphenylpiperidin-1-ium-3-yl)propyl methanesulfonate CAS Name: methanesulfonic acid 1-(1,1-diphenyl-3-piperidin-1-iumyl)propyl ester IUPAC Name: 1-(1,1-diphenylpiperidin-1-ium-3-yl)propyl methanesulfonate Traditional Name: methanesulfonic acid 1-(1,1-diphenylpiperidin-1-ium-3-yl)propyl ester Formula: C21H28NO3S+ MolecularWeight: 374.51692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1CCC[N+](C1)(C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)C

Isomeric SMILES

CCC(C1CCC[N+](C1)(C2=CC=CC=C2)C3=CC=CC=C3)OS(=O)(=O)C

InChI

InChI=1S/C21H28NO3S/c1-3-21(25-26(2,23)24)18-11-10-16-22(17-18,19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-9,12-15,18,21H,3,10-11,16-17H2,1-2H3/q+1