2,2-dicyano-3-(3-methyl-1,2-diazirin-3-yl)propanoate; tetrabutylazanium

Systemtic Name: 2,2-dicyano-3-(3-methyl-1,2-diazirin-3-yl)propanoate; tetrabutylazanium Openeye Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propanoate; tetrabutylammonium CAS Name: 2,2-dicyano-3-(3-methyl-3-diazirinyl)propanoate; tetrabutylammonium IUPAC Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propanoate; tetrabutylazanium Traditional Name: 2,2-dicyano-3-(3-methyldiazirin-3-yl)propionate; tetrabutylammonium Formula: C23H41N5O2 MolecularWeight: 419.60394

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1(N=N1)CC(C#N)(C#N)C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1(N=N1)CC(C#N)(C#N)C(=O)[O-]

InChI

InChI=1S/C16H36N.C7H6N4O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-6(10-11-6)2-7(3-8,4-9)5(12)13/h5-16H2,1-4H3;2H2,1H3,(H,12,13)/q+1;/p-1