3-[(1-methylpiperidin-2-yl)-oxidanyl-methyl]benzenesulfonic acid

Systemtic Name: 3-[(1-methylpiperidin-2-yl)-oxidanyl-methyl]benzenesulfonic acid Openeye Name: 3-[hydroxy-(1-methyl-2-piperidyl)methyl]benzenesulfonic acid CAS Name: 3-[hydroxy-(1-methyl-2-piperidinyl)methyl]benzenesulfonic acid IUPAC Name: 3-[hydroxy-(1-methylpiperidin-2-yl)methyl]benzenesulfonic acid Traditional Name: 3-[hydroxy-(1-methyl-2-piperidyl)methyl]besylic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC1C(C2=CC(=CC=C2)S(=O)(=O)O)O

Isomeric SMILES

CN1CCCCC1C(C2=CC(=CC=C2)S(=O)(=O)O)O

InChI

InChI=1S/C13H19NO4S/c1-14-8-3-2-7-12(14)13(15)10-5-4-6-11(9-10)19(16,17)18/h4-6,9,12-13,15H,2-3,7-8H2,1H3,(H,16,17,18)