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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N4O/c1-2-3-13(18)17-8-6-16(7-9-17)12-5-4-11(14)10-15-12/h4-5,10H,2-3,6-9,14H2,1H3/p+1