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

Systemtic Name: 5-chloranyl-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-methoxy-benzenesulfonamide Openeye Name: 5-chloro-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-2-methoxy-benzenesulfonamide CAS Name: 5-chloro-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-2-methoxybenzenesulfonamide IUPAC Name: 5-chloro-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-methoxybenzenesulfonamide Traditional Name: 5-chloro-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-2-methoxy-benzenesulfonamide Formula: C18H24ClN2O4S+ MolecularWeight: 399.91216

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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=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

InChI=1S/C18H23ClN2O4S/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