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(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium

(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium

Systemtic Name:(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium
Openeye Name:(7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)ammonium
CAS Name:(7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[3-(phenylthio)propyl]ammonium
IUPAC Name:(7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium
Traditional Name:(7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-[3-(phenylthio)propyl]ammonium
Formula: C20H22NO3S+
MolecularWeight: 356.45858
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCCSC3=CC=CC=C3)O


Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCCSC3=CC=CC=C3)O


InChI

InChI=1S/C20H21NO3S/c1-14-18(22)9-8-17-15(12-19(23)24-20(14)17)13-21-10-5-11-25-16-6-3-2-4-7-16/h2-4,6-9,12,21-22H,5,10-11,13H2,1H3/p+1


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