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

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl-methyl-(o-tolylmethyl)ammonium CAS Name: (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl-methyl-[(2-methylphenyl)methyl]ammonium IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl-methyl-[(2-methylphenyl)methyl]azanium Traditional Name: (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl-methyl-(2-methylbenzyl)ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=CC=C3C)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=CC=C3C)O

InChI

InChI=1S/C21H23NO3/c1-4-15-9-18-17(10-21(24)25-20(18)11-19(15)23)13-22(3)12-16-8-6-5-7-14(16)2/h5-11,23H,4,12-13H2,1-3H3/p+1