(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(4-propan-2-ylphenyl)ethyl]azanium

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl-[2-(4-propan-2-ylphenyl)ethyl]azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-[2-(4-isopropylphenyl)ethyl]ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-[2-(4-propan-2-ylphenyl)ethyl]ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-[2-(4-propan-2-ylphenyl)ethyl]azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-(2-p-cumenylethyl)ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC=C(C=C3)C(C)C)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH2+]CCC3=CC=C(C=C3)C(C)C)O

InChI

InChI=1S/C22H25NO3/c1-14(2)17-6-4-16(5-7-17)10-11-23-13-18-12-21(25)26-22-15(3)20(24)9-8-19(18)22/h4-9,12,14,23-24H,10-11,13H2,1-3H3/p+1