1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylate

Systemtic Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylate Openeye Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylate CAS Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-piperidin-1-iumcarboxylate IUPAC Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylate Traditional Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylate Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCC(CC1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CC[N+]1(CCC(CC1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H25NO5S/c1-2-22(21(23)24)14-12-17(13-15-22)16-28(25,26)20-10-8-19(9-11-20)27-18-6-4-3-5-7-18/h3-11,17H,2,12-16H2,1H3