butyl-methyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: butyl-methyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: butyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylene]benzofuran-7-yl]methyl]-methyl-ammonium CAS Name: butyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-7-benzofuranyl]methyl]-methylammonium IUPAC Name: butyl-[[(2Z)-6-hydroxy-3-oxo-2-[(4-phenylphenyl)methylidene]-1-benzofuran-7-yl]methyl]-methylazanium Traditional Name: butyl-[[(2Z)-6-hydroxy-3-keto-2-(4-phenylbenzylidene)coumaran-7-yl]methyl]-methyl-ammonium Formula: C27H28NO3+ MolecularWeight: 414.51612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=C(C=CC2=C1OC(=CC3=CC=C(C=C3)C4=CC=CC=C4)C2=O)O

Isomeric SMILES

CCCC[NH+](C)CC1=C(C=CC2=C1O/C(=C\C3=CC=C(C=C3)C4=CC=CC=C4)/C2=O)O

InChI

InChI=1S/C27H27NO3/c1-3-4-16-28(2)18-23-24(29)15-14-22-26(30)25(31-27(22)23)17-19-10-12-21(13-11-19)20-8-6-5-7-9-20/h5-15,17,29H,3-4,16,18H2,1-2H3/p+1/b25-17-