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

Systemtic Name: 3-cyanopropyl-[10-[[3-(dimethylcarbamoyloxy)pyridin-2-yl]carbonyl-dimethyl-azaniumyl]decyl]-dimethyl-azanium Openeye Name: 3-cyanopropyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium CAS Name: 3-cyanopropyl-[10-[[[3-[dimethylamino(oxo)methoxy]-2-pyridinyl]-oxomethyl]-dimethylammonio]decyl]-dimethylammonium IUPAC Name: 3-cyanopropyl-[10-[[3-(dimethylcarbamoyloxy)pyridine-2-carbonyl]-dimethylazaniumyl]decyl]-dimethylazanium Traditional Name: 3-cyanopropyl-[10-[[3-(dimethylcarbamoyloxy)picolinoyl]-dimethyl-ammonio]decyl]-dimethyl-ammonium Formula: C27H47N5O3+2 MolecularWeight: 489.69378

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)OC1=C(N=CC=C1)C(=O)[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCCC#N

Isomeric SMILES

CN(C)C(=O)OC1=C(N=CC=C1)C(=O)[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCCC#N

InChI

InChI=1S/C27H47N5O3/c1-30(2)27(34)35-24-18-17-20-29-25(24)26(33)32(5,6)23-15-12-10-8-7-9-11-14-21-31(3,4)22-16-13-19-28/h17-18,20H,7-16,21-23H2,1-6H3/q+2