3-(1-pyridin-4-ylpiperidin-2-yl)propan-1-amine; 3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-amine; bromide; hydrobromide

Systemtic Name: 3-(1-pyridin-4-ylpiperidin-2-yl)propan-1-amine; 3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-amine; bromide; hydrobromide Openeye Name: 3-[1-(4-pyridyl)-2-piperidyl]propan-1-amine; 3-[4-(2-pyridyl)pyridin-1-ium-1-yl]propan-1-amine; bromide; hydrobromide CAS Name: 3-(1-pyridin-4-yl-2-piperidinyl)-1-propanamine; 3-[4-(2-pyridinyl)-1-pyridin-1-iumyl]-1-propanamine; bromide; hydrobromide IUPAC Name: 3-(1-pyridin-4-ylpiperidin-2-yl)propan-1-amine; 3-(4-pyridin-2-ylpyridin-1-ium-1-yl)propan-1-amine; bromide; hydrobromide Traditional Name: 3-[1-(4-pyridyl)-2-piperidyl]propylamine; 3-[4-(2-pyridyl)pyridin-1-ium-1-yl]propylamine; bromide; hydrobromide Formula: C26H38Br2N6 MolecularWeight: 594.42812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCCN)C2=CC=NC=C2.C1=CC=NC(=C1)C2=CC=[N+](C=C2)CCCN.Br.[Br-]

Isomeric SMILES

C1CCN(C(C1)CCCN)C2=CC=NC=C2.C1=CC=NC(=C1)C2=CC=[N+](C=C2)CCCN.Br.[Br-]

InChI

InChI=1S/C13H16N3.C13H21N3.2BrH/c14-7-3-9-16-10-5-12(6-11-16)13-4-1-2-8-15-13;14-8-3-5-12-4-1-2-11-16(12)13-6-9-15-10-7-13;;/h1-2,4-6,8,10-11H,3,7,9,14H2;6-7,9-10,12H,1-5,8,11,14H2;2*1H/q+1;;;/p-1