(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(4-methylphenoxy)ethyl]azanium

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(4-methylphenoxy)ethyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-[2-(4-methylphenoxy)ethyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-[2-(4-methylphenoxy)ethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-[2-(4-methylphenoxy)ethyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-[2-(4-methylphenoxy)ethyl]ammonium Formula: C21H24NO4+ MolecularWeight: 354.41956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCOC3=CC=C(C=C3)C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH2+]CCOC3=CC=C(C=C3)C)O

InChI

InChI=1S/C21H23NO4/c1-3-15-10-18-16(11-21(24)26-20(18)12-19(15)23)13-22-8-9-25-17-6-4-14(2)5-7-17/h4-7,10-12,22-23H,3,8-9,13H2,1-2H3/p+1