(E)-1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)butylidene-(phenylmethyl)azanium

Systemtic Name: (E)-1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)butylidene-(phenylmethyl)azanium Openeye Name: (E)-benzyl-[1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)butylidene]ammonium CAS Name: (E)-1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)butylidene-(phenylmethyl)ammonium IUPAC Name: (E)-benzyl-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)butylidene]azanium Traditional Name: (E)-benzyl-[1-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)butylidene]ammonium Formula: C19H26NO2+ MolecularWeight: 300.41524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=[NH+]CC1=CC=CC=C1)C2=C(CC(CC2=O)(C)C)O

Isomeric SMILES

CCC/C(=[NH+]\CC1=CC=CC=C1)/C2=C(CC(CC2=O)(C)C)O

InChI

InChI=1S/C19H25NO2/c1-4-8-15(20-13-14-9-6-5-7-10-14)18-16(21)11-19(2,3)12-17(18)22/h5-7,9-10,21H,4,8,11-13H2,1-3H3/p+1/b20-15+