(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[2-(2-furylmethylsulfanyl)ethyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[2-(2-furanylmethylthio)ethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[2-(furan-2-ylmethylsulfanyl)ethyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-(2-furfurylthio)ethyl]ammonium Formula: C19H22NO4S+ MolecularWeight: 360.44728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCSCC3=CC=CO3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCSCC3=CC=CO3)O

InChI

InChI=1S/C19H21NO4S/c1-2-13-8-16-14(9-19(22)24-18(16)10-17(13)21)11-20-5-7-25-12-15-4-3-6-23-15/h3-4,6,8-10,20-21H,2,5,7,11-12H2,1H3/p+1