(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[(1S)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-[(1S)-1-(4-mesylphenyl)ethyl]ammonium Formula: C20H22NO5S+ MolecularWeight: 388.45738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]C(C)C3=CC=C(C=C3)S(=O)(=O)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+][C@@H](C)C3=CC=C(C=C3)S(=O)(=O)C)O

InChI

InChI=1S/C20H21NO5S/c1-12-18(22)9-8-17-15(10-19(23)26-20(12)17)11-21-13(2)14-4-6-16(7-5-14)27(3,24)25/h4-10,13,21-22H,11H2,1-3H3/p+1/t13-/m0/s1