5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxamide

Systemtic Name: 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxamide Openeye Name: N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-5-(o-tolylsulfonylmethyl)furan-2-carboxamide CAS Name: 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(2-methylphenyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxamide Traditional Name: N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-5-(o-tolylsulfonylmethyl)-2-furamide Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C

Isomeric SMILES

CC1CCCC[NH+]1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H28N2O4S/c1-16-7-3-4-9-20(16)28(25,26)15-18-10-11-19(27-18)21(24)22-12-14-23-13-6-5-8-17(23)2/h3-4,7,9-11,17H,5-6,8,12-15H2,1-2H3,(H,22,24)/p+1