(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)S(=O)(=O)C)[NH2+]CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

InChI=1S/C20H21NO5S/c1-13(14-4-7-17(8-5-14)27(3,23)24)21-12-15-10-20(22)26-19-11-16(25-2)6-9-18(15)19/h4-11,13,21H,12H2,1-3H3/p+1/t13-/m1/s1