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

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyridin-4-yl-ethanone Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-pyridyl)ethanone CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyridin-4-ylethanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-2-pyridin-4-ylethanone Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-2-(4-pyridyl)ethanone Formula: C12H18N3O+ MolecularWeight: 220.29082

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CC2=CC=NC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CC2=CC=NC=C2

InChI

InChI=1S/C12H17N3O/c16-12(10-11-2-5-14-6-3-11)15-8-1-4-13-7-9-15/h2-3,5-6,13H,1,4,7-10H2/p+1