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

Systemtic Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylic acid Openeye Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylic acid CAS Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylic acid Traditional Name: 1-ethyl-4-[(4-phenoxyphenyl)sulfonylmethyl]piperidin-1-ium-1-carboxylic acid Formula: C21H26NO5S+ MolecularWeight: 404.49984

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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/p+1