4-(4-but-2-ynoxyphenyl)sulfonyl-1-propanoyl-piperidin-1-ium-1-carboxylic acid

Systemtic Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propanoyl-piperidin-1-ium-1-carboxylic acid Openeye Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propanoyl-piperidin-1-ium-1-carboxylic acid CAS Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-(1-oxopropyl)-1-piperidin-1-iumcarboxylic acid IUPAC Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propanoylpiperidin-1-ium-1-carboxylic acid Traditional Name: 4-(4-but-2-ynoxyphenyl)sulfonyl-1-propionyl-piperidin-1-ium-1-carboxylic acid Formula: C19H24NO6S+ MolecularWeight: 394.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+]1(CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)O

Isomeric SMILES

CCC(=O)[N+]1(CCC(CC1)S(=O)(=O)C2=CC=C(C=C2)OCC#CC)C(=O)O

InChI

InChI=1S/C19H23NO6S/c1-3-5-14-26-15-6-8-16(9-7-15)27(24,25)17-10-12-20(13-11-17,19(22)23)18(21)4-2/h6-9,17H,4,10-14H2,1-2H3/p+1