methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxo-ethyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-[2-(methylthio)anilino]-2-oxoethyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-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:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC(=O)NC3=CC=CC=C3SC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC(=O)NC3=CC=CC=C3SC)O

InChI

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