1-ethyl-1-(phenylsulfonyl)piperidin-1-ium-4-carboxylate

Systemtic Name: 1-ethyl-1-(phenylsulfonyl)piperidin-1-ium-4-carboxylate Openeye Name: 1-(benzenesulfonyl)-1-ethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-(benzenesulfonyl)-1-ethyl-4-piperidin-1-iumcarboxylate IUPAC Name: 1-(benzenesulfonyl)-1-ethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-besyl-1-ethyl-piperidin-1-ium-4-carboxylate Formula: C14H19NO4S MolecularWeight: 297.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC[N+]1(CCC(CC1)C(=O)[O-])S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H19NO4S/c1-2-15(10-8-12(9-11-15)14(16)17)20(18,19)13-6-4-3-5-7-13/h3-7,12H,2,8-11H2,1H3