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

Systemtic Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(2-ethoxyphenyl)methylene]-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-6-hydroxy-7-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(2-ethoxyphenyl)methylidene]-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-(2-ethoxybenzylidene)-6-hydroxy-7-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]coumaran-3-one Formula: C24H28NO4+ MolecularWeight: 394.48342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCC(C4)C

Isomeric SMILES

CCOC1=CC=CC=C1/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCC[C@H](C4)C

InChI

InChI=1S/C24H27NO4/c1-3-28-21-9-5-4-8-17(21)13-22-23(27)18-10-11-20(26)19(24(18)29-22)15-25-12-6-7-16(2)14-25/h4-5,8-11,13,16,26H,3,6-7,12,14-15H2,1-2H3/p+1/b22-13-/t16-/m1/s1