5-[(3-methylphenyl)methylsulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxamide

Systemtic Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxamide Openeye Name: N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-5-(m-tolylmethylsulfonylmethyl)furan-2-carboxamide CAS Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-[2-(2-methyl-1-piperidin-1-iumyl)ethyl]-2-furancarboxamide IUPAC Name: 5-[(3-methylphenyl)methylsulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]furan-2-carboxamide Traditional Name: 5-[(3-methylbenzyl)sulfonylmethyl]-N-[2-(2-methylpiperidin-1-ium-1-yl)ethyl]-2-furamide Formula: C22H31N2O4S+ MolecularWeight: 419.55754

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CC1CCCC[NH+]1CCNC(=O)C2=CC=C(O2)CS(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H30N2O4S/c1-17-6-5-8-19(14-17)15-29(26,27)16-20-9-10-21(28-20)22(25)23-11-13-24-12-4-3-7-18(24)2/h5-6,8-10,14,18H,3-4,7,11-13,15-16H2,1-2H3,(H,23,25)/p+1