4-butyl-8-[(dimethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 4-butyl-8-[(dimethylazaniumyl)methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 4-butyl-8-[(dimethylammonio)methyl]-2-oxo-chromen-7-olate CAS Name: 4-butyl-8-[(dimethylammonio)methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 4-butyl-8-[(dimethylazaniumyl)methyl]-2-oxochromen-7-olate Traditional Name: 4-butyl-8-[(dimethylammonio)methyl]-2-keto-chromen-7-olate Formula: C16H21NO3 MolecularWeight: 275.34284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+](C)C)[O-]

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH+](C)C)[O-]

InChI

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