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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[3-(phenylthio)propyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[3-(phenylthio)propyl]ammonium Formula: C21H24NO3S+ MolecularWeight: 370.48516

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCCSC3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCCSC3=CC=CC=C3)O

InChI

InChI=1S/C21H23NO3S/c1-2-15-11-18-16(12-21(24)25-20(18)13-19(15)23)14-22-9-6-10-26-17-7-4-3-5-8-17/h3-5,7-8,11-13,22-23H,2,6,9-10,14H2,1H3/p+1