phenyl 2-piperidin-1-ium-1-ylethanesulfonate

Systemtic Name: phenyl 2-piperidin-1-ium-1-ylethanesulfonate Openeye Name: phenyl 2-piperidin-1-ium-1-ylethanesulfonate CAS Name: 2-(1-piperidin-1-iumyl)ethanesulfonic acid phenyl ester IUPAC Name: phenyl 2-piperidin-1-ium-1-ylethanesulfonate Traditional Name: 2-piperidin-1-ium-1-ylethanesulfonic acid phenyl ester Formula: C13H20NO3S+ MolecularWeight: 270.3678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c15-18(16,17-13-7-3-1-4-8-13)12-11-14-9-5-2-6-10-14/h1,3-4,7-8H,2,5-6,9-12H2/p+1