N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-(4-methoxyphenyl)ethanesulfonamide

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-(4-methoxyphenyl)ethanesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-2-(4-methoxyphenyl)ethanesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-2-(4-methoxyphenyl)ethanesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-2-(4-methoxyphenyl)ethanesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-2-(4-methoxyphenyl)ethanesulfonamide Formula: C20H29N2O4S+ MolecularWeight: 393.52026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-25-19-6-4-17(5-7-19)10-14-27(23,24)21-15-18-8-11-22(12-9-18)16-20-3-2-13-26-20/h2-7,13,18,21H,8-12,14-16H2,1H3/p+1