1-(2-chloroethyl)-4-(oxan-4-yl)pyridin-1-ium chloride

Systemtic Name: 1-(2-chloroethyl)-4-(oxan-4-yl)pyridin-1-ium chloride Openeye Name: 1-(2-chloroethyl)-4-tetrahydropyran-4-yl-pyridin-1-ium chloride CAS Name: 1-(2-chloroethyl)-4-(4-oxanyl)pyridin-1-ium chloride IUPAC Name: 1-(2-chloroethyl)-4-(oxan-4-yl)pyridin-1-ium chloride Traditional Name: 1-(2-chloroethyl)-4-tetrahydropyran-4-yl-pyridin-1-ium chloride Formula: C12H17Cl2NO MolecularWeight: 262.17548

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C2=CC=[N+](C=C2)CCCl.[Cl-]

Isomeric SMILES

C1COCCC1C2=CC=[N+](C=C2)CCCl.[Cl-]

InChI

InChI=1S/C12H17ClNO.ClH/c13-5-8-14-6-1-11(2-7-14)12-3-9-15-10-4-12;/h1-2,6-7,12H,3-5,8-10H2;1H/q+1;/p-1