3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidin-1-ium-1-carboxylic acid

Systemtic Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidin-1-ium-1-carboxylic acid Openeye Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidin-1-ium-1-carboxylic acid CAS Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]-1-piperidin-1-iumcarboxylic acid IUPAC Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-[(4-chlorophenyl)methyl]piperidin-1-ium-1-carboxylic acid Traditional Name: 3-(4-but-2-ynoxyphenyl)sulfonyl-1-(4-chlorobenzyl)piperidin-1-ium-1-carboxylic acid Formula: C23H25ClNO5S+ MolecularWeight: 462.9663

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2CCC[N+](C2)(CC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)S(=O)(=O)C2CCC[N+](C2)(CC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C23H24ClNO5S/c1-2-3-15-30-20-10-12-21(13-11-20)31(28,29)22-5-4-14-25(17-22,23(26)27)16-18-6-8-19(24)9-7-18/h6-13,22H,4-5,14-17H2,1H3/p+1