1-[[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium

Systemtic Name: 1-[[5-chloranyl-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium Openeye Name: 1-[[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium CAS Name: 1-[[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-4-pyrazolyl]methyl]-4-[2-(1-pyrrolidin-1-iumyl)ethyl]piperazin-1-ium IUPAC Name: 1-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium Traditional Name: 1-[[5-chloro-1-(2,5-dimethylphenyl)-3-methyl-pyrazol-4-yl]methyl]-4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-ium Formula: C23H36ClN5+2 MolecularWeight: 418.01844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)C[NH+]3CCN(CC3)CC[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=C(C(=N2)C)C[NH+]3CCN(CC3)CC[NH+]4CCCC4)Cl

InChI

InChI=1S/C23H34ClN5/c1-18-6-7-19(2)22(16-18)29-23(24)21(20(3)25-29)17-28-14-12-27(13-15-28)11-10-26-8-4-5-9-26/h6-7,16H,4-5,8-15,17H2,1-3H3/p+2