1-(4-butoxyphenyl)sulfonyl-1-butyl-piperidin-1-ium-4-carboxylic acid

Systemtic Name: 1-(4-butoxyphenyl)sulfonyl-1-butyl-piperidin-1-ium-4-carboxylic acid Openeye Name: 1-(4-butoxyphenyl)sulfonyl-1-butyl-piperidin-1-ium-4-carboxylic acid CAS Name: 1-(4-butoxyphenyl)sulfonyl-1-butyl-4-piperidin-1-iumcarboxylic acid IUPAC Name: 1-(4-butoxyphenyl)sulfonyl-1-butylpiperidin-1-ium-4-carboxylic acid Traditional Name: 1-(4-butoxyphenyl)sulfonyl-1-butyl-piperidin-1-ium-4-carboxylic acid Formula: C20H32NO5S+ MolecularWeight: 398.53678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO5S/c1-3-5-13-21(14-11-17(12-15-21)20(22)23)27(24,25)19-9-7-18(8-10-19)26-16-6-4-2/h7-10,17H,3-6,11-16H2,1-2H3/p+1