3-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-ethanoyl-7-oxidanyl-2-oxidanylidene-chromen-5-yl)methylamino]propyl-dimethyl-azanium Openeye Name: 3-[(3-acetyl-7-hydroxy-2-oxo-chromen-5-yl)methylamino]propyl-dimethyl-ammonium CAS Name: 3-[(3-acetyl-7-hydroxy-2-oxo-1-benzopyran-5-yl)methylamino]propyl-dimethylammonium IUPAC Name: 3-[(3-acetyl-7-hydroxy-2-oxochromen-5-yl)methylamino]propyl-dimethylazanium Traditional Name: 3-[(3-acetyl-7-hydroxy-2-keto-chromen-5-yl)methylamino]propyl-dimethyl-ammonium Formula: C17H23N2O4+ MolecularWeight: 319.37552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C(C=C2CNCCC[NH+](C)C)O)OC1=O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C(C=C2CNCCC[NH+](C)C)O)OC1=O

InChI

InChI=1S/C17H22N2O4/c1-11(20)14-9-15-12(10-18-5-4-6-19(2)3)7-13(21)8-16(15)23-17(14)22/h7-9,18,21H,4-6,10H2,1-3H3/p+1