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

Systemtic Name: 2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]carbonyl-dimethyl-azaniumyl]decyl]-dimethyl-azanium dinitrate Openeye Name: 2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium dinitrate CAS Name: [[3-[dimethylamino(oxo)methoxy]-2-pyridinyl]-oxomethyl]-[10-[dimethyl-[2-(1-oxobutoxy)ethyl]ammonio]decyl]-dimethylammonium dinitrate IUPAC Name: 2-butanoyloxyethyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethylazaniumyl]decyl]-dimethylazanium dinitrate Traditional Name: 2-butyryloxyethyl-[10-[[3-(dimethylcarbamoyloxy)picolinoyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium dinitrate Formula: C29H52N6O11 MolecularWeight: 660.75678

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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.[N+](=O)([O-])[O-].[N+](=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.[N+](=O)([O-])[O-].[N+](=O)([O-])[O-]

InChI

InChI=1S/C29H52N4O5.2NO3/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/h17,19-20H,8-16,18,21-24H2,1-7H3;;/q+2;2*-1