(4-methylpiperazin-4-ium-1-yl)-(6-pyrazol-1-ylpyridin-3-yl)methanone

Systemtic Name: (4-methylpiperazin-4-ium-1-yl)-(6-pyrazol-1-ylpyridin-3-yl)methanone Openeye Name: (4-methylpiperazin-4-ium-1-yl)-(6-pyrazol-1-yl-3-pyridyl)methanone CAS Name: (4-methyl-1-piperazin-4-iumyl)-[6-(1-pyrazolyl)-3-pyridinyl]methanone IUPAC Name: (4-methylpiperazin-4-ium-1-yl)-(6-pyrazol-1-ylpyridin-3-yl)methanone Traditional Name: (4-methylpiperazin-4-ium-1-yl)-(6-pyrazol-1-yl-3-pyridyl)methanone Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CN=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CN=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C14H17N5O/c1-17-7-9-18(10-8-17)14(20)12-3-4-13(15-11-12)19-6-2-5-16-19/h2-6,11H,7-10H2,1H3/p+1