1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium

Systemtic Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium Openeye Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium CAS Name: 1-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-4-(2,6-dimethyl-4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium Traditional Name: 1-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]-4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-ium Formula: C22H28ClN5+2 MolecularWeight: 397.94422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C

InChI

InChI=1S/C22H26ClN5/c1-16-11-21(12-17(2)24-16)28-9-7-27(8-10-28)15-19-14-26(3)25-22(19)18-5-4-6-20(23)13-18/h4-6,11-14H,7-10,15H2,1-3H3/p+2