1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,3-dione

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,3-dione Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,3-dione CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,3-dione IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,3-dione Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)butane-1,3-dione Formula: C13H18N3O2+ MolecularWeight: 248.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

Isomeric SMILES

CC(=O)CC(=O)N1CCN(CC1)C2=CC=CC=[NH+]2

InChI

InChI=1S/C13H17N3O2/c1-11(17)10-13(18)16-8-6-15(7-9-16)12-4-2-3-5-14-12/h2-5H,6-10H2,1H3/p+1