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

Systemtic Name: [4-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H24ClN4O+ MolecularWeight: 395.90516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O/c1-17-20(21(23)27(24-17)19-10-6-3-7-11-19)16-25-12-14-26(15-13-25)22(28)18-8-4-2-5-9-18/h2-11H,12-16H2,1H3/p+1