cyclooctyl-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: cyclooctyl-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: cyclooctyl-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl]ammonium CAS Name: cyclooctyl-[2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl]ammonium IUPAC Name: cyclooctyl-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]azanium Traditional Name: cyclooctyl-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl]ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH2+]C3CCCCCCC3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)C[NH2+]C3CCCCCCC3)C

InChI

InChI=1S/C22H32N4O/c1-16-11-13-20(14-12-16)26-18(3)22(17(2)25-26)24-21(27)15-23-19-9-7-5-4-6-8-10-19/h11-14,19,23H,4-10,15H2,1-3H3,(H,24,27)/p+1