4-[[bis(2-methylpropyl)azaniumyl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-[[bis(2-methylpropyl)azaniumyl]methyl]-8-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 4-[(diisobutylammonio)methyl]-8-methyl-2-oxo-chromen-7-olate CAS Name: 4-[[bis(2-methylpropyl)ammonio]methyl]-8-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-[[bis(2-methylpropyl)azaniumyl]methyl]-8-methyl-2-oxochromen-7-olate Traditional Name: 4-[(diisobutylammonio)methyl]-2-keto-8-methyl-chromen-7-olate Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC(C)C)CC(C)C)[O-]

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](CC(C)C)CC(C)C)[O-]

InChI

InChI=1S/C19H27NO3/c1-12(2)9-20(10-13(3)4)11-15-8-18(22)23-19-14(5)17(21)7-6-16(15)19/h6-8,12-13,21H,9-11H2,1-5H3