N-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide

Systemtic Name: N-[4-oxidanyl-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Openeye Name: N-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide CAS Name: N-[4-hydroxy-3-(1-piperidin-1-iumylmethyl)phenyl]benzenesulfonamide IUPAC Name: N-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Traditional Name: N-[4-hydroxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]benzenesulfonamide Formula: C18H23N2O3S+ MolecularWeight: 347.45182

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C18H22N2O3S/c21-18-10-9-16(13-15(18)14-20-11-5-2-6-12-20)19-24(22,23)17-7-3-1-4-8-17/h1,3-4,7-10,13,19,21H,2,5-6,11-12,14H2/p+1