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

Systemtic Name: 1,4-diazepan-4-ium-1-yl(pyridin-4-yl)methanone Openeye Name: 1,4-diazepan-4-ium-1-yl(4-pyridyl)methanone CAS Name: 1,4-diazepan-4-ium-1-yl(pyridin-4-yl)methanone IUPAC Name: 1,4-diazepan-4-ium-1-yl(pyridin-4-yl)methanone Traditional Name: 1,4-diazepan-4-ium-1-yl(4-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=NC=C2

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O/c15-11(10-2-5-13-6-3-10)14-8-1-4-12-7-9-14/h2-3,5-6,12H,1,4,7-9H2/p+1