1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazino]-2-methyl-propan-1-one Formula: C13H21N4O+ MolecularWeight: 249.33204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)N

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C2=[NH+]C=C(C=C2)N

InChI

InChI=1S/C13H20N4O/c1-10(2)13(18)17-7-5-16(6-8-17)12-4-3-11(14)9-15-12/h3-4,9-10H,5-8,14H2,1-2H3/p+1