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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3

InChI

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