4-chloranyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 4-chloro-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C17H22ClN2O2S2+ MolecularWeight: 385.95178

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CS3

Isomeric SMILES

C1C[NH+](CCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl)CC3=CC=CS3

InChI

InChI=1S/C17H21ClN2O2S2/c18-15-3-5-17(6-4-15)24(21,22)19-12-14-7-9-20(10-8-14)13-16-2-1-11-23-16/h1-6,11,14,19H,7-10,12-13H2/p+1