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

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

CC1=NN(C(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C[NH+]2CCN(CC2)C3=CC=CC=C3)Cl)C4=CC=CC=C4

InChI

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