3-[4-(6-methylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-(6-methylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(6-methylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(6-methyl-4-pyrimidinyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(6-methylpyrimidin-4-yl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(6-methylpyrimidin-4-yl)piperazin-1-ium-1-yl]propionate Formula: C12H18N4O2 MolecularWeight: 250.29692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=N1)N2CC[NH+](CC2)CCC(=O)[O-]

Isomeric SMILES

CC1=CC(=NC=N1)N2CC[NH+](CC2)CCC(=O)[O-]

InChI

InChI=1S/C12H18N4O2/c1-10-8-11(14-9-13-10)16-6-4-15(5-7-16)3-2-12(17)18/h8-9H,2-7H2,1H3,(H,17,18)