(6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-methyl-(2-phenoxyethyl)azanium

Systemtic Name: (6-ethyl-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methyl-methyl-(2-phenoxyethyl)azanium Openeye Name: (6-ethyl-7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methyl-methyl-(2-phenoxyethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methyl-methyl-(2-phenoxyethyl)ammonium IUPAC Name: (6-ethyl-7-hydroxy-4-methyl-2-oxochromen-8-yl)methyl-methyl-(2-phenoxyethyl)azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-4-methyl-chromen-8-yl)methyl-methyl-(2-phenoxyethyl)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)C[NH+](C)CCOC3=CC=CC=C3)O

Isomeric SMILES

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

InChI

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