1-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl]pyridin-4-one

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-piperazin-4-ium-1-yl-propan-2-yl]pyridin-4-one Openeye Name: 1-[(1R)-1-methyl-2-oxo-2-piperazin-4-ium-1-yl-ethyl]pyridin-4-one CAS Name: 1-[(2R)-1-oxo-1-(1-piperazin-4-iumyl)propan-2-yl]-4-pyridinone IUPAC Name: 1-[(2R)-1-oxo-1-piperazin-4-ium-1-ylpropan-2-yl]pyridin-4-one Traditional Name: 1-[(1R)-2-keto-1-methyl-2-piperazin-4-ium-1-yl-ethyl]-4-pyridone Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH2+]CC1)N2C=CC(=O)C=C2

Isomeric SMILES

C[C@H](C(=O)N1CC[NH2+]CC1)N2C=CC(=O)C=C2

InChI

InChI=1S/C12H17N3O2/c1-10(14-6-2-11(16)3-7-14)12(17)15-8-4-13-5-9-15/h2-3,6-7,10,13H,4-5,8-9H2,1H3/p+1/t10-/m1/s1