(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-(2-phenylsulfanylethyl)ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(phenylthio)ethyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-[2-(phenylthio)ethyl]ammonium Formula: C19H20NO3S+ MolecularWeight: 342.432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCSC3=CC=CC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCSC3=CC=CC=C3)O

InChI

InChI=1S/C19H19NO3S/c1-13-17(21)8-7-16-14(11-18(22)23-19(13)16)12-20-9-10-24-15-5-3-2-4-6-15/h2-8,11,20-21H,9-10,12H2,1H3/p+1