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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-methyl-[2-(2-methylphenoxy)ethyl]ammonium Formula: C22H26NO4+ MolecularWeight: 368.44614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC=C3C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CCOC3=CC=CC=C3C)O

InChI

InChI=1S/C22H25NO4/c1-4-16-11-18-17(12-22(25)27-21(18)13-19(16)24)14-23(3)9-10-26-20-8-6-5-7-15(20)2/h5-8,11-13,24H,4,9-10,14H2,1-3H3/p+1