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

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium CAS Name: (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]ammonium IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]azanium Traditional Name: (7-ethyl-2-keto-chromen-4-yl)methyl-[(1R)-1-(4-mesylphenyl)ethyl]ammonium Formula: C21H24NO4S+ MolecularWeight: 386.48456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C(C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+][C@H](C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C21H23NO4S/c1-4-15-5-10-19-17(12-21(23)26-20(19)11-15)13-22-14(2)16-6-8-18(9-7-16)27(3,24)25/h5-12,14,22H,4,13H2,1-3H3/p+1/t14-/m1/s1