1-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-one perchlorate

Systemtic Name: 1-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-one perchlorate Openeye Name: 1-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-one perchlorate CAS Name: 1-[4-(1-pyrrolidinyl)-1-pyridin-1-iumyl]-2-propanone perchlorate IUPAC Name: 1-(4-pyrrolidin-1-ylpyridin-1-ium-1-yl)propan-2-one perchlorate Traditional Name: 1-(4-pyrrolidinopyridin-1-ium-1-yl)acetone perchlorate Formula: C12H17ClN2O5 MolecularWeight: 304.72678

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C[N+]1=CC=C(C=C1)N2CCCC2.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(=O)C[N+]1=CC=C(C=C1)N2CCCC2.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H17N2O.ClHO4/c1-11(15)10-13-8-4-12(5-9-13)14-6-2-3-7-14;2-1(3,4)5/h4-5,8-9H,2-3,6-7,10H2,1H3;(H,2,3,4,5)/q+1;/p-1