4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,5-dimethyl-benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,5-dimethyl-benzenesulfonamide Openeye Name: 4-ethoxy-N-[[1-(2-furylmethyl)piperidin-1-ium-4-yl]methyl]-3,5-dimethyl-benzenesulfonamide CAS Name: 4-ethoxy-N-[[1-(2-furanylmethyl)-4-piperidin-1-iumyl]methyl]-3,5-dimethylbenzenesulfonamide IUPAC Name: 4-ethoxy-N-[[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]methyl]-3,5-dimethylbenzenesulfonamide Traditional Name: 4-ethoxy-N-[[1-(2-furfuryl)piperidin-1-ium-4-yl]methyl]-3,5-dimethyl-benzenesulfonamide Formula: C21H31N2O4S+ MolecularWeight: 407.54684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C

Isomeric SMILES

CCOC1=C(C=C(C=C1C)S(=O)(=O)NCC2CC[NH+](CC2)CC3=CC=CO3)C

InChI

InChI=1S/C21H30N2O4S/c1-4-26-21-16(2)12-20(13-17(21)3)28(24,25)22-14-18-7-9-23(10-8-18)15-19-6-5-11-27-19/h5-6,11-13,18,22H,4,7-10,14-15H2,1-3H3/p+1