N-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine

Systemtic Name: N-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine Openeye Name: N-[[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine CAS Name: N-[[1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine IUPAC Name: N-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]-2-(5-methyl-1H-imidazol-3-ium-2-yl)ethanamine Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[2-(5-methyl-1H-imidazol-3-ium-2-yl)ethyl]amine Formula: C24H28N5+ MolecularWeight: 386.51262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CNCCC4=[NH+]C=C(N4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)CNCCC4=[NH+]C=C(N4)C

InChI

InChI=1S/C24H27N5/c1-17-9-10-18(2)22(13-17)29-16-21(24(28-29)20-7-5-4-6-8-20)15-25-12-11-23-26-14-19(3)27-23/h4-10,13-14,16,25H,11-12,15H2,1-3H3,(H,26,27)/p+1