5-methyl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidin-1-ium-4-amine

Systemtic Name: 5-methyl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidin-1-ium-4-amine Openeye Name: 5-methyl-2-[4-(pyrazol-1-ylmethyl)-1-piperidyl]pyrimidin-1-ium-4-amine CAS Name: 5-methyl-2-[4-(1-pyrazolylmethyl)-1-piperidinyl]-4-pyrimidin-1-iumamine IUPAC Name: 5-methyl-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]pyrimidin-1-ium-4-amine Traditional Name: [5-methyl-2-[4-(pyrazol-1-ylmethyl)piperidino]pyrimidin-1-ium-4-yl]amine Formula: C14H21N6+ MolecularWeight: 273.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)CN3C=CC=N3

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)N2CCC(CC2)CN3C=CC=N3

InChI

InChI=1S/C14H20N6/c1-11-9-16-14(18-13(11)15)19-7-3-12(4-8-19)10-20-6-2-5-17-20/h2,5-6,9,12H,3-4,7-8,10H2,1H3,(H2,15,16,18)/p+1