1-cyclohexyl-2-pyridin-1-ium-1-yl-propan-1-one perchlorate

Systemtic Name: 1-cyclohexyl-2-pyridin-1-ium-1-yl-propan-1-one perchlorate Openeye Name: 1-cyclohexyl-2-pyridin-1-ium-1-yl-propan-1-one perchlorate CAS Name: 1-cyclohexyl-2-(1-pyridin-1-iumyl)-1-propanone perchlorate IUPAC Name: 1-cyclohexyl-2-pyridin-1-ium-1-ylpropan-1-one perchlorate Traditional Name: 1-cyclohexyl-2-pyridin-1-ium-1-yl-propan-1-one perchlorate Formula: C14H20ClNO5 MolecularWeight: 317.7653

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1CCCCC1)[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C(=O)C1CCCCC1)[N+]2=CC=CC=C2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C14H20NO.ClHO4/c1-12(15-10-6-3-7-11-15)14(16)13-8-4-2-5-9-13;2-1(3,4)5/h3,6-7,10-13H,2,4-5,8-9H2,1H3;(H,2,3,4,5)/q+1;/p-1