(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-phenylbutyl]azanium

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[(1R)-1-phenylbutyl]azanium Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl-[(1R)-1-phenylbutyl]ammonium CAS Name: (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[(1R)-1-phenylbutyl]ammonium IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl-[(1R)-1-phenylbutyl]azanium Traditional Name: (2-keto-6,7-dimethyl-chromen-4-yl)methyl-[(1R)-1-phenylbutyl]ammonium Formula: C22H26NO2+ MolecularWeight: 336.44734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)C)C

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)C)C

InChI

InChI=1S/C22H25NO2/c1-4-8-20(17-9-6-5-7-10-17)23-14-18-13-22(24)25-21-12-16(3)15(2)11-19(18)21/h5-7,9-13,20,23H,4,8,14H2,1-3H3/p+1/t20-/m1/s1