(7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (7-methoxy-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (7-methoxy-2-oxo-chromen-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (7-methoxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (7-methoxy-2-oxochromen-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (2-keto-7-methoxy-chromen-4-yl)methyl-[2-keto-2-[2-(methylthio)anilino]ethyl]-methyl-ammonium Formula: C21H23N2O4S+ MolecularWeight: 399.48332

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)OC)CC(=O)NC3=CC=CC=C3SC

Isomeric SMILES

C[NH+](CC1=CC(=O)OC2=C1C=CC(=C2)OC)CC(=O)NC3=CC=CC=C3SC

InChI

InChI=1S/C21H22N2O4S/c1-23(13-20(24)22-17-6-4-5-7-19(17)28-3)12-14-10-21(25)27-18-11-15(26-2)8-9-16(14)18/h4-11H,12-13H2,1-3H3,(H,22,24)/p+1