[(2Z)-2-[(2-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium

Systemtic Name: [(2Z)-2-[(2-methylphenyl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-dipropyl-azanium Openeye Name: [(2Z)-6-hydroxy-2-(o-tolylmethylene)-3-oxo-benzofuran-7-yl]methyl-dipropyl-ammonium CAS Name: [(2Z)-6-hydroxy-2-[(2-methylphenyl)methylidene]-3-oxo-7-benzofuranyl]methyl-dipropylammonium IUPAC Name: [(2Z)-6-hydroxy-2-[(2-methylphenyl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-dipropylazanium Traditional Name: [(2Z)-6-hydroxy-3-keto-2-(2-methylbenzylidene)coumaran-7-yl]methyl-dipropyl-ammonium Formula: C23H28NO3+ MolecularWeight: 366.47332

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+](CCC)CC1=C(C=CC2=C1OC(=CC3=CC=CC=C3C)C2=O)O

Isomeric SMILES

CCC[NH+](CCC)CC1=C(C=CC2=C1O/C(=C\C3=CC=CC=C3C)/C2=O)O

InChI

InChI=1S/C23H27NO3/c1-4-12-24(13-5-2)15-19-20(25)11-10-18-22(26)21(27-23(18)19)14-17-9-7-6-8-16(17)3/h6-11,14,25H,4-5,12-13,15H2,1-3H3/p+1/b21-14-