(4,4-dimethylpiperazin-4-ium-1-yl)-(1,5-diphenylpyrazol-3-yl)methanone

Systemtic Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1,5-diphenylpyrazol-3-yl)methanone Openeye Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1,5-diphenylpyrazol-3-yl)methanone CAS Name: (4,4-dimethyl-1-piperazin-4-iumyl)-(1,5-diphenyl-3-pyrazolyl)methanone IUPAC Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1,5-diphenylpyrazol-3-yl)methanone Traditional Name: (4,4-dimethylpiperazin-4-ium-1-yl)-(1,5-diphenylpyrazol-3-yl)methanone Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N4O/c1-26(2)15-13-24(14-16-26)22(27)20-17-21(18-9-5-3-6-10-18)25(23-20)19-11-7-4-8-12-19/h3-12,17H,13-16H2,1-2H3/q+1