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

Systemtic Name: methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H22NO3S+ MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CC=C(C=C3)SC)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CC=C(C=C3)SC)O

InChI

InChI=1S/C20H21NO3S/c1-13-18(22)9-8-17-15(10-19(23)24-20(13)17)12-21(2)11-14-4-6-16(25-3)7-5-14/h4-10,22H,11-12H2,1-3H3/p+1