(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-dimethyl-azanium

Systemtic Name: (4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-dimethyl-azanium Openeye Name: (4-butyl-7-hydroxy-2-oxo-chromen-8-yl)methyl-dimethyl-ammonium CAS Name: (4-butyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methyl-dimethylammonium IUPAC Name: (4-butyl-7-hydroxy-2-oxochromen-8-yl)methyl-dimethylazanium Traditional Name: (4-butyl-7-hydroxy-2-keto-chromen-8-yl)methyl-dimethyl-ammonium Formula: C16H22NO3+ MolecularWeight: 276.35078

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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/p+1