3-[4-(dimethylamino)pyridin-1-ium-1-yl]cyclohex-2-en-1-one chloride

Systemtic Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]cyclohex-2-en-1-one chloride Openeye Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]cyclohex-2-en-1-one chloride CAS Name: 3-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-cyclohex-2-enone chloride IUPAC Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]cyclohex-2-en-1-one chloride Traditional Name: 3-[4-(dimethylamino)pyridin-1-ium-1-yl]cyclohex-2-en-1-one chloride Formula: C13H17ClN2O MolecularWeight: 252.73988

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C2=CC(=O)CCC2.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C2=CC(=O)CCC2.[Cl-]

InChI

InChI=1S/C13H17N2O.ClH/c1-14(2)11-6-8-15(9-7-11)12-4-3-5-13(16)10-12;/h6-10H,3-5H2,1-2H3;1H/q+1;/p-1