1-cyclopropyl-2,6-dideuterio-4-phenoxy-pyridin-1-ium chloride

Systemtic Name: 1-cyclopropyl-2,6-dideuterio-4-phenoxy-pyridin-1-ium chloride Openeye Name: 1-cyclopropyl-2,6-dideuterio-4-phenoxy-pyridin-1-ium chloride CAS Name: 1-cyclopropyl-2,6-dideuterio-4-phenoxypyridin-1-ium chloride IUPAC Name: 1-cyclopropyl-2,6-dideuterio-4-phenoxypyridin-1-ium chloride Traditional Name: 1-cyclopropyl-2,6-dideuterio-4-phenoxy-pyridin-1-ium chloride Formula: C14H14ClNO MolecularWeight: 249.732384

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1[N+]2=CC=C(C=C2)OC3=CC=CC=C3.[Cl-]

Isomeric SMILES

[2H]C1=CC(=CC(=[N+]1C2CC2)[2H])OC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C14H14NO.ClH/c1-2-4-13(5-3-1)16-14-8-10-15(11-9-14)12-6-7-12;/h1-5,8-12H,6-7H2;1H/q+1;/p-1/i10D,11D;