(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H21ClNO2S+ MolecularWeight: 374.90424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC=C(C=C3)SC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+](C)CC3=CC=C(C=C3)SC)Cl

InChI

InChI=1S/C20H20ClNO2S/c1-13-8-19-17(10-18(13)21)15(9-20(23)24-19)12-22(2)11-14-4-6-16(25-3)7-5-14/h4-10H,11-12H2,1-3H3/p+1