8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(1-methylbenzimidazol-2-yl)-2-oxidanylidene-chromen-7-olate Openeye Name: 8-[(diisobutylammonio)methyl]-3-(1-methylbenzimidazol-2-yl)-2-oxo-chromen-7-olate CAS Name: 8-[[bis(2-methylpropyl)ammonio]methyl]-3-(1-methyl-2-benzimidazolyl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-[[bis(2-methylpropyl)azaniumyl]methyl]-3-(1-methylbenzimidazol-2-yl)-2-oxochromen-7-olate Traditional Name: 8-[(diisobutylammonio)methyl]-2-keto-3-(1-methylbenzimidazol-2-yl)chromen-7-olate Formula: C26H31N3O3 MolecularWeight: 433.54264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C(=C2)C3=NC4=CC=CC=C4N3C)[O-])CC(C)C

Isomeric SMILES

CC(C)C[NH+](CC1=C(C=CC2=C1OC(=O)C(=C2)C3=NC4=CC=CC=C4N3C)[O-])CC(C)C

InChI

InChI=1S/C26H31N3O3/c1-16(2)13-29(14-17(3)4)15-20-23(30)11-10-18-12-19(26(31)32-24(18)20)25-27-21-8-6-7-9-22(21)28(25)5/h6-12,16-17,30H,13-15H2,1-5H3