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

Systemtic Name: 1-[1-(1,4-diazepan-4-ium-1-yl)-2-methyl-1-oxidanylidene-propan-2-yl]pyridin-4-one Openeye Name: 1-[2-(1,4-diazepan-4-ium-1-yl)-1,1-dimethyl-2-oxo-ethyl]pyridin-4-one CAS Name: 1-[1-(1,4-diazepan-4-ium-1-yl)-2-methyl-1-oxopropan-2-yl]-4-pyridinone IUPAC Name: 1-[1-(1,4-diazepan-4-ium-1-yl)-2-methyl-1-oxopropan-2-yl]pyridin-4-one Traditional Name: 1-[2-(1,4-diazepan-4-ium-1-yl)-2-keto-1,1-dimethyl-ethyl]-4-pyridone Formula: C14H22N3O2+ MolecularWeight: 264.34338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2/c1-14(2,17-9-4-12(18)5-10-17)13(19)16-8-3-6-15-7-11-16/h4-5,9-10,15H,3,6-8,11H2,1-2H3/p+1