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

Systemtic Name: 2-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Openeye Name: 2-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine CAS Name: 2-[4-[[3-(3-chlorophenyl)-1-methyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]pyrazine IUPAC Name: 2-[4-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Traditional Name: 2-[4-[[3-(3-chlorophenyl)-1-methyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]pyrazine Formula: C19H22ClN6+ MolecularWeight: 369.87118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(CC3)C4=NC=CN=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC(=CC=C2)Cl)C[NH+]3CCN(CC3)C4=NC=CN=C4

InChI

InChI=1S/C19H21ClN6/c1-24-13-16(19(23-24)15-3-2-4-17(20)11-15)14-25-7-9-26(10-8-25)18-12-21-5-6-22-18/h2-6,11-13H,7-10,14H2,1H3/p+1