1-(1,4-diazepan-4-ium-1-yl)-3-pyridin-4-yl-propan-1-one

Systemtic Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyridin-4-yl-propan-1-one Openeye Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-pyridyl)propan-1-one CAS Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyridin-4-yl-1-propanone IUPAC Name: 1-(1,4-diazepan-4-ium-1-yl)-3-pyridin-4-ylpropan-1-one Traditional Name: 1-(1,4-diazepan-4-ium-1-yl)-3-(4-pyridyl)propan-1-one Formula: C13H20N3O+ MolecularWeight: 234.3174

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)C(=O)CCC2=CC=NC=C2

Isomeric SMILES

C1C[NH2+]CCN(C1)C(=O)CCC2=CC=NC=C2

InChI

InChI=1S/C13H19N3O/c17-13(16-10-1-6-14-9-11-16)3-2-12-4-7-15-8-5-12/h4-5,7-8,14H,1-3,6,9-11H2/p+1