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

Systemtic Name: 1-[(5-chloranyl-1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-phenyl-piperazin-1-ium Openeye Name: 1-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-phenyl-piperazin-1-ium CAS Name: 1-[(5-chloro-1-methyl-3-phenyl-4-pyrazolyl)methyl]-4-phenylpiperazin-1-ium IUPAC Name: 1-[(5-chloro-1-methyl-3-phenylpyrazol-4-yl)methyl]-4-phenylpiperazin-1-ium Traditional Name: 1-[(5-chloro-1-methyl-3-phenyl-pyrazol-4-yl)methyl]-4-phenyl-piperazin-1-ium Formula: C21H24ClN4+ MolecularWeight: 367.89506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4/c1-24-21(22)19(20(23-24)17-8-4-2-5-9-17)16-25-12-14-26(15-13-25)18-10-6-3-7-11-18/h2-11H,12-16H2,1H3/p+1