(2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(4-ethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(4-ethoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(4-ethoxyphenyl)methylene]-6-hydroxy-benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-2-[(4-ethoxyphenyl)methylidene]-6-hydroxy-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(4-ethoxyphenyl)methylidene]-6-hydroxy-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-(4-ethoxybenzylidene)-6-hydroxy-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+]4CCCCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

InChI

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