4-[[butyl(methyl)azaniumyl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate

Systemtic Name: 4-[[butyl(methyl)azaniumyl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[butyl(methyl)ammonio]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[butyl(methyl)ammonio]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[butyl(methyl)azaniumyl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[[butyl(methyl)ammonio]methyl]-2-keto-7-methyl-chromen-6-olate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C

Isomeric SMILES

CCCC[NH+](C)CC1=CC(=O)OC2=CC(=C(C=C12)[O-])C

InChI

InChI=1S/C16H21NO3/c1-4-5-6-17(3)10-12-8-16(19)20-15-7-11(2)14(18)9-13(12)15/h7-9,18H,4-6,10H2,1-3H3