2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]carbonyl-dimethyl-azaniumyl]decyl]-dimethyl-azanium diperchlorate

Systemtic Name: 2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]carbonyl-dimethyl-azaniumyl]decyl]-dimethyl-azanium diperchlorate Openeye Name: 2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium diperchlorate CAS Name: [[3-[dimethylamino(oxo)methoxy]-2-pyridinyl]-oxomethyl]-[10-[dimethyl-[2-(1-oxobutoxy)ethyl]ammonio]decyl]-dimethylammonium diperchlorate IUPAC Name: 2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethylazaniumyl]decyl]-dimethylazanium diperchlorate Traditional Name: 2-butyryloxyethyl-[10-[[3-(dimethylcarbamoyloxy)picolinoyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium diperchlorate Formula: C29H52Cl2N4O13 MolecularWeight: 735.64818

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C(=O)C1=C(C=CC=N1)OC(=O)N(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCC(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C(=O)C1=C(C=CC=N1)OC(=O)N(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C29H52N4O5.2ClHO4/c1-8-18-26(34)37-24-23-32(4,5)21-15-13-11-9-10-12-14-16-22-33(6,7)28(35)27-25(19-17-20-30-27)38-29(36)31(2)3;2*2-1(3,4)5/h17,19-20H,8-16,18,21-24H2,1-7H3;2*(H,2,3,4,5)/q+2;;/p-2