(3-oxidanylidenebenzo[f]chromen-1-yl)methyl-(2-phenylsulfanylethyl)azanium

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl-(2-phenylsulfanylethyl)azanium Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl-(2-phenylsulfanylethyl)ammonium CAS Name: (3-oxo-1-benzo[f][1]benzopyranyl)methyl-[2-(phenylthio)ethyl]ammonium IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl-(2-phenylsulfanylethyl)azanium Traditional Name: (3-ketobenzo[f]chromen-1-yl)methyl-[2-(phenylthio)ethyl]ammonium Formula: C22H20NO2S+ MolecularWeight: 362.4647

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C1=CC=C(C=C1)SCC[NH2+]CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C22H19NO2S/c24-21-14-17(15-23-12-13-26-18-7-2-1-3-8-18)22-19-9-5-4-6-16(19)10-11-20(22)25-21/h1-11,14,23H,12-13,15H2/p+1