(phenylmethyl)-tripropyl-azanium ethanoate

Systemtic Name: (phenylmethyl)-tripropyl-azanium ethanoate Openeye Name: benzyl(tripropyl)ammonium acetate CAS Name: (phenylmethyl)-tripropylammonium acetate IUPAC Name: benzyl(tripropyl)azanium acetate Traditional Name: benzyl(tripropyl)ammonium acetate Formula: C18H31NO2 MolecularWeight: 293.44424

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.CC(=O)[O-]

Isomeric SMILES

CCC[N+](CCC)(CCC)CC1=CC=CC=C1.CC(=O)[O-]

InChI

InChI=1S/C16H28N.C2H4O2/c1-4-12-17(13-5-2,14-6-3)15-16-10-8-7-9-11-16;1-2(3)4/h7-11H,4-6,12-15H2,1-3H3;1H3,(H,3,4)/q+1;/p-1