(2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one

Systemtic Name: (2Z)-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-6-oxidanyl-2-(phenylmethylidene)-1-benzofuran-3-one Openeye Name: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]benzofuran-3-one CAS Name: (2Z)-6-hydroxy-7-[(4-methyl-1-piperidin-1-iumyl)methyl]-2-(phenylmethylene)-3-benzofuranone IUPAC Name: (2Z)-2-benzylidene-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-benzal-6-hydroxy-7-[(4-methylpiperidin-1-ium-1-yl)methyl]coumaran-3-one Formula: C22H24NO3+ MolecularWeight: 350.43086

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC2=C(C=CC3=C2OC(=CC4=CC=CC=C4)C3=O)O

Isomeric SMILES

CC1CC[NH+](CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC=CC=C4)/C3=O)O

InChI

InChI=1S/C22H23NO3/c1-15-9-11-23(12-10-15)14-18-19(24)8-7-17-21(25)20(26-22(17)18)13-16-5-3-2-4-6-16/h2-8,13,15,24H,9-12,14H2,1H3/p+1/b20-13-