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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCSC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCSC3=CC=CC=C3

InChI

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