1H-benzimidazol-2-ylmethyl-[1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)ethylidene]azanium

Systemtic Name: 1H-benzimidazol-2-ylmethyl-[1-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)ethylidene]azanium Openeye Name: 1H-benzimidazol-2-ylmethyl-[1-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)ethylidene]ammonium CAS Name: 1H-benzimidazol-2-ylmethyl-[1-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)ethylidene]ammonium IUPAC Name: 1H-benzimidazol-2-ylmethyl-[1-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)ethylidene]azanium Traditional Name: 1H-benzimidazol-2-ylmethyl-[1-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)ethylidene]ammonium Formula: C18H22N3O2+ MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=[NH+]CC1=NC2=CC=CC=C2N1)C3=C(CC(CC3=O)(C)C)O

Isomeric SMILES

CC(=[NH+]CC1=NC2=CC=CC=C2N1)C3=C(CC(CC3=O)(C)C)O

InChI

InChI=1S/C18H21N3O2/c1-11(17-14(22)8-18(2,3)9-15(17)23)19-10-16-20-12-6-4-5-7-13(12)21-16/h4-7,22H,8-10H2,1-3H3,(H,20,21)/p+1