(4,4-dimethyl-3-phenyl-piperazin-4-ium-1-yl)-(1-pyridin-3-ylpyrazol-3-yl)methanone

Systemtic Name: (4,4-dimethyl-3-phenyl-piperazin-4-ium-1-yl)-(1-pyridin-3-ylpyrazol-3-yl)methanone Openeye Name: (4,4-dimethyl-3-phenyl-piperazin-4-ium-1-yl)-[1-(3-pyridyl)pyrazol-3-yl]methanone CAS Name: (4,4-dimethyl-3-phenyl-1-piperazin-4-iumyl)-[1-(3-pyridinyl)-3-pyrazolyl]methanone IUPAC Name: (4,4-dimethyl-3-phenylpiperazin-4-ium-1-yl)-(1-pyridin-3-ylpyrazol-3-yl)methanone Traditional Name: (4,4-dimethyl-3-phenyl-piperazin-4-ium-1-yl)-[1-(3-pyridyl)pyrazol-3-yl]methanone Formula: C21H24N5O+ MolecularWeight: 362.44816

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1C2=CC=CC=C2)C(=O)C3=NN(C=C3)C4=CN=CC=C4)C

Isomeric SMILES

C[N+]1(CCN(CC1C2=CC=CC=C2)C(=O)C3=NN(C=C3)C4=CN=CC=C4)C

InChI

InChI=1S/C21H24N5O/c1-26(2)14-13-24(16-20(26)17-7-4-3-5-8-17)21(27)19-10-12-25(23-19)18-9-6-11-22-15-18/h3-12,15,20H,13-14,16H2,1-2H3/q+1