[1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-methylpyrrolidin-1-ium-3-yl]methyl]azanium

Systemtic Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-methylpyrrolidin-1-ium-3-yl]methyl]azanium Openeye Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-methylpyrrolidin-1-ium-3-yl]methyl]ammonium CAS Name: [1-(2,5-dimethylphenyl)-3-phenyl-4-pyrazolyl]methyl-[[(3R)-1-methyl-3-pyrrolidin-1-iumyl]methyl]ammonium IUPAC Name: [1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-[[(3R)-1-methylpyrrolidin-1-ium-3-yl]methyl]azanium Traditional Name: [1-(2,5-dimethylphenyl)-3-phenyl-pyrazol-4-yl]methyl-[[(3R)-1-methylpyrrolidin-1-ium-3-yl]methyl]ammonium Formula: C24H32N4+2 MolecularWeight: 376.53768

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)C[NH2+]CC4CC[NH+](C4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C=C(C(=N2)C3=CC=CC=C3)C[NH2+]C[C@H]4CC[NH+](C4)C

InChI

InChI=1S/C24H30N4/c1-18-9-10-19(2)23(13-18)28-17-22(15-25-14-20-11-12-27(3)16-20)24(26-28)21-7-5-4-6-8-21/h4-10,13,17,20,25H,11-12,14-16H2,1-3H3/p+2/t20-/m1/s1