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

Systemtic Name: (2Z)-2-[(4-ethoxyphenyl)methylidene]-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-2-[(4-ethoxyphenyl)methylene]-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]benzofuran-3-one CAS Name: (2Z)-2-[(4-ethoxyphenyl)methylidene]-6-hydroxy-7-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-3-benzofuranone IUPAC Name: (2Z)-2-[(4-ethoxyphenyl)methylidene]-6-hydroxy-7-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1-benzofuran-3-one Traditional Name: (2Z)-2-(4-ethoxybenzylidene)-6-hydroxy-7-[[(2S)-2-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=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCC4C

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4/c1-3-28-18-9-7-17(8-10-18)14-22-23(27)19-11-12-21(26)20(24(19)29-22)15-25-13-5-4-6-16(25)2/h7-12,14,16,26H,3-6,13,15H2,1-2H3/p+1/b22-14-/t16-/m0/s1