1,4-diazepan-4-ium-1-yl(pyridin-2-yl)methanone

Systemtic Name: 1,4-diazepan-4-ium-1-yl(pyridin-2-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(2-pyridyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(2-pyridinyl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(pyridin-2-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(2-pyridyl)methanone Formula: C11H16N3O+ MolecularWeight: 206.26424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=N2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)C2=CC=CC=N2

InChI

InChI=1S/C11H15N3O/c15-11(10-4-1-2-6-13-10)14-8-3-5-12-7-9-14/h1-2,4,6,12H,3,5,7-9H2/p+1