1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-(5-azanylpyridin-1-ium-2-yl)piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-(5-amino-2-pyridin-1-iumyl)-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-(5-aminopyridin-1-ium-2-yl)piperazino]-3-methyl-butan-1-one Formula: C14H23N4O+ MolecularWeight: 263.35862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N4O/c1-11(2)9-14(19)18-7-5-17(6-8-18)13-4-3-12(15)10-16-13/h3-4,10-11H,5-9,15H2,1-2H3/p+1