(4-chlorophenyl) 2-piperidin-1-ium-1-ylethanesulfonate

Systemtic Name: (4-chlorophenyl) 2-piperidin-1-ium-1-ylethanesulfonate Openeye Name: (4-chlorophenyl) 2-piperidin-1-ium-1-ylethanesulfonate CAS Name: 2-(1-piperidin-1-iumyl)ethanesulfonic acid (4-chlorophenyl) ester IUPAC Name: (4-chlorophenyl) 2-piperidin-1-ium-1-ylethanesulfonate Traditional Name: 2-piperidin-1-ium-1-ylethanesulfonic acid (4-chlorophenyl) ester Formula: C13H19ClNO3S+ MolecularWeight: 304.81286

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCS(=O)(=O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCS(=O)(=O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H18ClNO3S/c14-12-4-6-13(7-5-12)18-19(16,17)11-10-15-8-2-1-3-9-15/h4-7H,1-3,8-11H2/p+1