N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide

Systemtic Name: N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide Openeye Name: N-(2-furylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide CAS Name: N-(2-furanylmethyl)-N-(1-methyl-4-piperidin-1-iumyl)-2-nitrobenzenesulfonamide IUPAC Name: N-(furan-2-ylmethyl)-N-(1-methylpiperidin-1-ium-4-yl)-2-nitrobenzenesulfonamide Traditional Name: N-(2-furfuryl)-N-(1-methylpiperidin-1-ium-4-yl)-2-nitro-benzenesulfonamide Formula: C17H22N3O5S+ MolecularWeight: 380.43868

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)N(CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)N(CC2=CC=CO2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O5S/c1-18-10-8-14(9-11-18)19(13-15-5-4-12-25-15)26(23,24)17-7-3-2-6-16(17)20(21)22/h2-7,12,14H,8-11,13H2,1H3/p+1