3-[1-(3-pyridin-3-ylpropyl)pyridin-1-ium-3-yl]propan-1-ol iodide

Systemtic Name: 3-[1-(3-pyridin-3-ylpropyl)pyridin-1-ium-3-yl]propan-1-ol iodide Openeye Name: 3-[1-[3-(3-pyridyl)propyl]pyridin-1-ium-3-yl]propan-1-ol iodide CAS Name: 3-[1-[3-(3-pyridinyl)propyl]-3-pyridin-1-iumyl]-1-propanol iodide IUPAC Name: 3-[1-(3-pyridin-3-ylpropyl)pyridin-1-ium-3-yl]propan-1-ol iodide Traditional Name: 3-[1-[3-(3-pyridyl)propyl]pyridin-1-ium-3-yl]propan-1-ol iodide Formula: C16H21IN2O MolecularWeight: 384.25521

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCC[N+]2=CC=CC(=C2)CCCO.[I-]

Isomeric SMILES

C1=CC(=CN=C1)CCC[N+]2=CC=CC(=C2)CCCO.[I-]

InChI

InChI=1S/C16H21N2O.HI/c19-12-4-8-16-7-3-11-18(14-16)10-2-6-15-5-1-9-17-13-15;/h1,3,5,7,9,11,13-14,19H,2,4,6,8,10,12H2;1H/q+1;/p-1