2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-(1-methyl-1-piperidin-1-iumyl)ethyl ester IUPAC Name: 2-(1-methylpiperidin-1-ium-1-yl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(1-methylpiperidin-1-ium-1-yl)ethyl ester Formula: C15H24NO3S+ MolecularWeight: 298.42096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2(CCCCC2)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC[N+]2(CCCCC2)C

InChI

InChI=1S/C15H24NO3S/c1-14-6-8-15(9-7-14)20(17,18)19-13-12-16(2)10-4-3-5-11-16/h6-9H,3-5,10-13H2,1-2H3/q+1