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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC(=O)OC3=C2C=CC(=C3)OC

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC2=CC(=O)OC3=C2C=CC(=C3)OC

InChI

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