4-(oxan-4-yl)-1-(2-pyridin-1-ium-2-ylethyl)pyridin-1-ium dichloride

Systemtic Name: 4-(oxan-4-yl)-1-(2-pyridin-1-ium-2-ylethyl)pyridin-1-ium dichloride Openeye Name: 1-(2-pyridin-1-ium-2-ylethyl)-4-tetrahydropyran-4-yl-pyridin-1-ium dichloride CAS Name: 4-(4-oxanyl)-1-[2-(2-pyridin-1-iumyl)ethyl]pyridin-1-ium dichloride IUPAC Name: 4-(oxan-4-yl)-1-(2-pyridin-1-ium-2-ylethyl)pyridin-1-ium dichloride Traditional Name: 1-(2-pyridin-1-ium-2-ylethyl)-4-tetrahydropyran-4-yl-pyridin-1-ium dichloride Formula: C17H22Cl2N2O MolecularWeight: 341.27538

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC=[N+](C=C2)CCC3=CC=CC=[NH+]3.[Cl-].[Cl-]

Isomeric SMILES

C1COCCC1C2=CC=[N+](C=C2)CCC3=CC=CC=[NH+]3.[Cl-].[Cl-]

InChI

InChI=1S/C17H21N2O.2ClH/c1-2-9-18-17(3-1)6-12-19-10-4-15(5-11-19)16-7-13-20-14-8-16;;/h1-5,9-11,16H,6-8,12-14H2;2*1H/q+1;;/p-1