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

Systemtic Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-2-[(4-methylphenyl)methylidene]-6-oxidanyl-1-benzofuran-3-one Openeye Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-(p-tolylmethylene)benzofuran-3-one CAS Name: (2Z)-7-(1-azepan-1-iumylmethyl)-6-hydroxy-2-[(4-methylphenyl)methylidene]-3-benzofuranone IUPAC Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one Traditional Name: (2Z)-7-(azepan-1-ium-1-ylmethyl)-6-hydroxy-2-(4-methylbenzylidene)coumaran-3-one Formula: C23H26NO3+ MolecularWeight: 364.45744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+]4CCCCCC4

InChI

InChI=1S/C23H25NO3/c1-16-6-8-17(9-7-16)14-21-22(26)18-10-11-20(25)19(23(18)27-21)15-24-12-4-2-3-5-13-24/h6-11,14,25H,2-5,12-13,15H2,1H3/p+1/b21-14-