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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-(2-phenylsulfanylethyl)ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(phenylthio)ethyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-[2-(phenylthio)ethyl]ammonium Formula: C20H22NO2S+ MolecularWeight: 340.45918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCSC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCSC3=CC=CC=C3)C

InChI

InChI=1S/C20H21NO2S/c1-14-8-9-18-16(12-19(22)23-20(18)15(14)2)13-21-10-11-24-17-6-4-3-5-7-17/h3-9,12,21H,10-11,13H2,1-2H3/p+1