(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C21H24NO2S+ MolecularWeight: 354.48576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(C=C3)SC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(C=C3)SC)C

InChI

InChI=1S/C21H23NO2S/c1-14-9-19-17(11-21(23)24-20(19)10-15(14)2)13-22(3)12-16-5-7-18(25-4)8-6-16/h5-11H,12-13H2,1-4H3/p+1