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

Systemtic Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-propan-2-yl-benzenesulfonamide Openeye Name: N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-4-isopropyl-benzenesulfonamide CAS Name: N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-4-propan-2-ylbenzenesulfonamide IUPAC Name: N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-4-propan-2-ylbenzenesulfonamide Traditional Name: N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-4-isopropyl-benzenesulfonamide Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O3S/c1-16(2)18-5-7-20(8-6-18)26(23,24)21-14-17-9-11-22(12-10-17)15-19-4-3-13-25-19/h3-8,13,16-17,21H,9-12,14-15H2,1-2H3/p+1