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

Systemtic Name: 1-[(2R)-1-(1,4-diazepan-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]pyridin-4-one Openeye Name: 1-[(1R)-2-(1,4-diazepan-4-ium-1-yl)-1-methyl-2-oxo-ethyl]pyridin-4-one CAS Name: 1-[(2R)-1-(1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]-4-pyridinone IUPAC Name: 1-[(2R)-1-(1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]pyridin-4-one Traditional Name: 1-[(1R)-2-(1,4-diazepan-4-ium-1-yl)-2-keto-1-methyl-ethyl]-4-pyridone Formula: C13H20N3O2+ MolecularWeight: 250.3168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC[NH2+]CC1)N2C=CC(=O)C=C2

Isomeric SMILES

C[C@H](C(=O)N1CCC[NH2+]CC1)N2C=CC(=O)C=C2

InChI

InChI=1S/C13H19N3O2/c1-11(15-8-3-12(17)4-9-15)13(18)16-7-2-5-14-6-10-16/h3-4,8-9,11,14H,2,5-7,10H2,1H3/p+1/t11-/m1/s1