3-chloranyl-2-(cyanomethyl)benzoate; tetrabutylazanium

Systemtic Name: 3-chloranyl-2-(cyanomethyl)benzoate; tetrabutylazanium Openeye Name: 3-chloro-2-(cyanomethyl)benzoate; tetrabutylammonium CAS Name: 3-chloro-2-(cyanomethyl)benzoate; tetrabutylammonium IUPAC Name: 3-chloro-2-(cyanomethyl)benzoate; tetrabutylazanium Traditional Name: 3-chloro-2-(cyanomethyl)benzoate; tetrabutylammonium Formula: C25H41ClN2O2 MolecularWeight: 437.05824

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C(=C1)Cl)CC#N)C(=O)[O-]

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC(=C(C(=C1)Cl)CC#N)C(=O)[O-]

InChI

InChI=1S/C16H36N.C9H6ClNO2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-8-3-1-2-7(9(12)13)6(8)4-5-11/h5-16H2,1-4H3;1-3H,4H2,(H,12,13)/q+1;/p-1