4-(4-butoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-carboxylic acid

Systemtic Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-carboxylic acid Openeye Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-carboxylic acid CAS Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 4-(4-butoxyphenyl)sulfonyl-1-[(4-methoxyphenyl)methyl]piperidin-1-ium-1-carboxylic acid Traditional Name: 4-(4-butoxyphenyl)sulfonyl-1-p-anisyl-piperidin-1-ium-1-carboxylic acid Formula: C24H32NO6S+ MolecularWeight: 462.57898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CC[N+](CC2)(CC3=CC=C(C=C3)OC)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)C2CC[N+](CC2)(CC3=CC=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C24H31NO6S/c1-3-4-17-31-21-9-11-22(12-10-21)32(28,29)23-13-15-25(16-14-23,24(26)27)18-19-5-7-20(30-2)8-6-19/h5-12,23H,3-4,13-18H2,1-2H3/p+1