3-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-2,5-dimethyl-pyrazine

Systemtic Name: 3-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-2,5-dimethyl-pyrazine Openeye Name: 3-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-2,5-dimethyl-pyrazine CAS Name: 3-[4-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]-2,5-dimethylpyrazine IUPAC Name: 3-[4-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-2,5-dimethylpyrazine Traditional Name: 3-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]-2,5-dimethyl-pyrazine Formula: C21H26ClN6+ MolecularWeight: 397.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=N1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C)C

Isomeric SMILES

CC1=CN=C(C(=N1)N2CC[NH+](CC2)CC3=CN(N=C3C4=CC(=CC=C4)Cl)C)C

InChI

InChI=1S/C21H25ClN6/c1-15-12-23-16(2)21(24-15)28-9-7-27(8-10-28)14-18-13-26(3)25-20(18)17-5-4-6-19(22)11-17/h4-6,11-13H,7-10,14H2,1-3H3/p+1