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

Systemtic Name: tributyl-[10-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]carbonyl-dimethyl-azaniumyl]decyl]azanium dinitrate Openeye Name: tributyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethyl-ammonio]decyl]ammonium dinitrate CAS Name: tributyl-[10-[[[3-[dimethylamino(oxo)methoxy]-2-pyridinyl]-oxomethyl]-dimethylammonio]decyl]ammonium dinitrate IUPAC Name: tributyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethylazaniumyl]decyl]azanium dinitrate Traditional Name: tributyl-[10-[[3-(dimethylcarbamoyloxy)picolinoyl]-dimethyl-ammonio]decyl]ammonium dinitrate Formula: C33H62N6O9 MolecularWeight: 686.88018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)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[N+](CCCC)(CCCC)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/C33H62N4O3.2NO3/c1-8-11-26-37(27-12-9-2,28-13-10-3)29-21-19-17-15-14-16-18-20-25-36(6,7)32(38)31-30(23-22-24-34-31)40-33(39)35(4)5;2*2-1(3)4/h22-24H,8-21,25-29H2,1-7H3;;/q+2;2*-1