2-[4-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]pyrimidine Formula: C19H22ClN6+ MolecularWeight: 369.87118

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4)Cl

Isomeric SMILES

CN1C(=C(C(=N1)C2=CC=CC=C2)C[NH+]3CCN(CC3)C4=NC=CC=N4)Cl

InChI

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