2-phenylpropanoate; tetrabutylazanium

Systemtic Name: 2-phenylpropanoate; tetrabutylazanium Openeye Name: 2-phenylpropanoate; tetrabutylammonium CAS Name: 2-phenylpropanoate; tetrabutylammonium IUPAC Name: 2-phenylpropanoate; tetrabutylazanium Traditional Name: 2-phenylpropionate; tetrabutylammonium Formula: C25H45NO2 MolecularWeight: 391.6303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H36N.C9H10O2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-7(9(10)11)8-5-3-2-4-6-8/h5-16H2,1-4H3;2-7H,1H3,(H,10,11)/q+1;/p-1