6-(azetidin-1-yl)-4-methyl-2-piperazin-4-ium-1-yl-pyrimidin-1-ium

Systemtic Name: 6-(azetidin-1-yl)-4-methyl-2-piperazin-4-ium-1-yl-pyrimidin-1-ium Openeye Name: 6-(azetidin-1-yl)-4-methyl-2-piperazin-4-ium-1-yl-pyrimidin-1-ium CAS Name: 6-(1-azetidinyl)-4-methyl-2-(1-piperazin-4-iumyl)pyrimidin-1-ium IUPAC Name: 6-(azetidin-1-yl)-4-methyl-2-piperazin-4-ium-1-ylpyrimidin-1-ium Traditional Name: 6-(azetidin-1-yl)-4-methyl-2-piperazin-4-ium-1-yl-pyrimidin-1-ium Formula: C12H21N5+2 MolecularWeight: 235.32864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CC[NH2+]CC2)N3CCC3

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CC[NH2+]CC2)N3CCC3

InChI

InChI=1S/C12H19N5/c1-10-9-11(16-5-2-6-16)15-12(14-10)17-7-3-13-4-8-17/h9,13H,2-8H2,1H3/p+2