[(2E)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium

Systemtic Name: [(2E)-2-(1H-indol-3-ylmethylidene)-6-oxidanyl-3-oxidanylidene-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Openeye Name: [(2E)-6-hydroxy-2-(1H-indol-3-ylmethylene)-3-oxo-benzofuran-7-yl]methyl-diisobutyl-ammonium CAS Name: [(2E)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-3-oxo-7-benzofuranyl]methyl-bis(2-methylpropyl)ammonium IUPAC Name: [(2E)-6-hydroxy-2-(1H-indol-3-ylmethylidene)-3-oxo-1-benzofuran-7-yl]methyl-bis(2-methylpropyl)azanium Traditional Name: [(2E)-6-hydroxy-2-(1H-indol-3-ylmethylene)-3-keto-coumaran-7-yl]methyl-diisobutyl-ammonium Formula: C26H31N2O3+ MolecularWeight: 419.53594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=CC3=CNC4=CC=CC=C43)C2=O)O)CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1O/C(=C/C3=CNC4=CC=CC=C43)/C2=O)O)CC(C)C

InChI

InChI=1S/C26H30N2O3/c1-16(2)13-28(14-17(3)4)15-21-23(29)10-9-20-25(30)24(31-26(20)21)11-18-12-27-22-8-6-5-7-19(18)22/h5-12,16-17,27,29H,13-15H2,1-4H3/p+1/b24-11+