(2Z)-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(2-thienylmethylene)benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-2-(thiophen-2-ylmethylidene)-3-benzofuranone IUPAC Name: (2Z)-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(thiophen-2-ylmethylidene)-1-benzofuran-3-one Traditional Name: (2Z)-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-2-(2-thenylidene)coumaran-3-one Formula: C20H22NO3S+ MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(C=CC3=C2OC(=CC4=CC=CS4)C3=O)O

Isomeric SMILES

C[C@@H]1CCC[NH+](C1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CS4)/C3=O)O

InChI

InChI=1S/C20H21NO3S/c1-13-4-2-8-21(11-13)12-16-17(22)7-6-15-19(23)18(24-20(15)16)10-14-5-3-9-25-14/h3,5-7,9-10,13,22H,2,4,8,11-12H2,1H3/p+1/b18-10-/t13-/m1/s1