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

Systemtic Name: 5-chloranyl-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Openeye Name: 5-chloro-2-methoxy-N-[[1-(2-thienylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide CAS Name: 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)-4-piperidin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 5-chloro-2-methoxy-N-[[1-(thiophen-2-ylmethyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Traditional Name: 5-chloro-2-methoxy-N-[[1-(2-thenyl)piperidin-1-ium-4-yl]methyl]benzenesulfonamide Formula: C18H24ClN2O3S2+ MolecularWeight: 415.97776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C18H23ClN2O3S2/c1-24-17-5-4-15(19)11-18(17)26(22,23)20-12-14-6-8-21(9-7-14)13-16-3-2-10-25-16/h2-5,10-11,14,20H,6-9,12-13H2,1H3/p+1