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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-methyl-(2-phenoxyethyl)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[NH+](C)CCOC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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