5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-1H-pyridin-2-one

Systemtic Name: 5-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]-1H-pyridin-2-one Openeye Name: 5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1H-pyridin-2-one CAS Name: 5-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1H-pyridin-2-one IUPAC Name: 5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-1H-pyridin-2-one Traditional Name: 5-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)-2-pyridone Formula: C12H18N3O2+ MolecularWeight: 236.29022

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CNC(=O)C=C2

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CNC(=O)C=C2

InChI

InChI=1S/C12H17N3O2/c1-14-5-2-6-15(8-7-14)12(17)10-3-4-11(16)13-9-10/h3-4,9H,2,5-8H2,1H3,(H,13,16)/p+1