2-oxidanyl-4-[4-oxidanylidene-3-[3-(trimethylazaniumyl)propoxy]chromen-2-yl]phenolate

Systemtic Name: 2-oxidanyl-4-[4-oxidanylidene-3-[3-(trimethylazaniumyl)propoxy]chromen-2-yl]phenolate Openeye Name: 2-hydroxy-4-[4-oxo-3-[3-(trimethylammonio)propoxy]chromen-2-yl]phenolate CAS Name: 2-hydroxy-4-[4-oxo-3-[3-(trimethylammonio)propoxy]-1-benzopyran-2-yl]phenolate IUPAC Name: 2-hydroxy-4-[4-oxo-3-[3-(trimethylazaniumyl)propoxy]chromen-2-yl]phenolate Traditional Name: 2-hydroxy-4-[4-keto-3-[3-(trimethylammonio)propoxy]chromen-2-yl]phenolate Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)[O-])O

Isomeric SMILES

C[N+](C)(C)CCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)[O-])O

InChI

InChI=1S/C21H23NO5/c1-22(2,3)11-6-12-26-21-19(25)15-7-4-5-8-18(15)27-20(21)14-9-10-16(23)17(24)13-14/h4-5,7-10,13H,6,11-12H2,1-3H3,(H-,23,24,25)