[(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [(2E)-2-[(1-methylindol-3-yl)methylidene]-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylene]-3-oxo-benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2E)-6-hydroxy-2-[(1-methyl-3-indolyl)methylidene]-3-oxo-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2E)-6-hydroxy-2-[(1-methylindol-3-yl)methylidene]-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2E)-6-hydroxy-3-keto-2-[(1-methylindol-3-yl)methylene]coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C27H33N2O3+ MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)C)C2=O)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1O/C(=C/C3=CN(C4=CC=CC=C43)C)/C2=O)O)CC(C)C

InChI

InChI=1S/C27H32N2O3/c1-17(2)13-29(14-18(3)4)16-22-24(30)11-10-21-26(31)25(32-27(21)22)12-19-15-28(5)23-9-7-6-8-20(19)23/h6-12,15,17-18,30H,13-14,16H2,1-5H3/p+1/b25-12+