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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-(2-phenylsulfanylethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[2-(phenylthio)ethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-(2-phenylsulfanylethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-(phenylthio)ethyl]ammonium Formula: C20H22NO3S+ MolecularWeight: 356.45858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCSC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCSC3=CC=CC=C3)O

InChI

InChI=1S/C20H21NO3S/c1-2-14-10-17-15(11-20(23)24-19(17)12-18(14)22)13-21-8-9-25-16-6-4-3-5-7-16/h3-7,10-12,21-22H,2,8-9,13H2,1H3/p+1