dimethyl-[[3-(1,2-oxazol-3-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl]azanium

Systemtic Name: dimethyl-[[3-(1,2-oxazol-3-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl]azanium Openeye Name: (7-hydroxy-3-isoxazol-3-yl-4-oxo-6-propyl-chromen-8-yl)methyl-dimethyl-ammonium CAS Name: [7-hydroxy-3-(3-isoxazolyl)-4-oxo-6-propyl-1-benzopyran-8-yl]methyl-dimethylammonium IUPAC Name: [7-hydroxy-3-(1,2-oxazol-3-yl)-4-oxo-6-propylchromen-8-yl]methyl-dimethylazanium Traditional Name: (7-hydroxy-3-isoxazol-3-yl-4-keto-6-propyl-chromen-8-yl)methyl-dimethyl-ammonium Formula: C18H21N2O4+ MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NOC=C3)C[NH+](C)C)O

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NOC=C3)C[NH+](C)C)O

InChI

InChI=1S/C18H20N2O4/c1-4-5-11-8-12-17(22)14(15-6-7-24-19-15)10-23-18(12)13(16(11)21)9-20(2)3/h6-8,10,21H,4-5,9H2,1-3H3/p+1