1-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butan-1-amine

Systemtic Name: 1-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butan-1-amine Openeye Name: 1-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butan-1-amine CAS Name: 1-[1-(2-pyrimidinyl)-1-piperazin-1-iumyl]-1-butanamine IUPAC Name: 1-(1-pyrimidin-2-ylpiperazin-1-ium-1-yl)butan-1-amine Traditional Name: 1-[1-(2-pyrimidyl)piperazin-1-ium-1-yl]butylamine Formula: C12H22N5+ MolecularWeight: 236.33658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N)[N+]1(CCNCC1)C2=NC=CC=N2

Isomeric SMILES

CCCC(N)[N+]1(CCNCC1)C2=NC=CC=N2

InChI

InChI=1S/C12H22N5/c1-2-4-11(13)17(9-7-14-8-10-17)12-15-5-3-6-16-12/h3,5-6,11,14H,2,4,7-10,13H2,1H3/q+1