[(4-chlorophenyl)-cyano-methyl]-(2-methoxy-2-oxidanylidene-ethyl)-dimethyl-azanium perchlorate

Systemtic Name: [(4-chlorophenyl)-cyano-methyl]-(2-methoxy-2-oxidanylidene-ethyl)-dimethyl-azanium perchlorate Openeye Name: [(4-chlorophenyl)-cyano-methyl]-(2-methoxy-2-oxo-ethyl)-dimethyl-ammonium perchlorate CAS Name: [(4-chlorophenyl)-cyanomethyl]-(2-methoxy-2-oxoethyl)-dimethylammonium perchlorate IUPAC Name: [(4-chlorophenyl)-cyanomethyl]-(2-methoxy-2-oxoethyl)-dimethylazanium perchlorate Traditional Name: [(4-chlorophenyl)-cyano-methyl]-(2-keto-2-methoxy-ethyl)-dimethyl-ammonium perchlorate Formula: C13H16Cl2N2O6 MolecularWeight: 367.18194

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC(=O)OC)C(C#N)C1=CC=C(C=C1)Cl.[O-]Cl(=O)(=O)=O

Isomeric SMILES

C[N+](C)(CC(=O)OC)C(C#N)C1=CC=C(C=C1)Cl.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C13H16ClN2O2.ClHO4/c1-16(2,9-13(17)18-3)12(8-15)10-4-6-11(14)7-5-10;2-1(3,4)5/h4-7,12H,9H2,1-3H3;(H,2,3,4,5)/q+1;/p-1