1,4-dimethyl-5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-phenyl-pyrazol-3-one

Systemtic Name: 1,4-dimethyl-5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,4-dimethyl-5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-phenyl-pyrazol-3-one CAS Name: 1,4-dimethyl-5-[(Z)-(4-methyl-1-piperazin-4-iumyl)iminomethyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,4-dimethyl-5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-phenylpyrazol-3-one Traditional Name: 1,4-dimethyl-5-[(Z)-(4-methylpiperazin-4-ium-1-yl)iminomethyl]-2-phenyl-3-pyrazolin-3-one Formula: C17H24N5O+ MolecularWeight: 314.40536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)C=NN3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(N(N(C1=O)C2=CC=CC=C2)C)/C=N\N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N5O/c1-14-16(13-18-21-11-9-19(2)10-12-21)20(3)22(17(14)23)15-7-5-4-6-8-15/h4-8,13H,9-12H2,1-3H3/p+1/b18-13-