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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(4-methoxyphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(4-methoxyphenyl)methylene]benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(4-methoxyphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-p-anisylidene-coumaran-3-one Formula: C23H26NO4+ MolecularWeight: 380.45684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H25NO4/c1-27-17-8-6-16(7-9-17)14-21-22(26)18-10-11-20(25)19(23(18)28-21)15-24-12-4-2-3-5-13-24/h6-11,14,25H,2-5,12-13,15H2,1H3/p+1/b21-14-