N-[3-[dimethyl-(phenylmethyl)azaniumyl]-2,2-dimethyl-propyl]octanimidate hydrobromide

Systemtic Name: N-[3-[dimethyl-(phenylmethyl)azaniumyl]-2,2-dimethyl-propyl]octanimidate hydrobromide Openeye Name: N-[3-[benzyl(dimethyl)ammonio]-2,2-dimethyl-propyl]octanimidate hydrobromide CAS Name: N-[3-[dimethyl-(phenylmethyl)ammonio]-2,2-dimethylpropyl]octanimidate hydrobromide IUPAC Name: N-[3-[benzyl(dimethyl)azaniumyl]-2,2-dimethylpropyl]octanimidate hydrobromide Traditional Name: N-[3-[benzyl(dimethyl)ammonio]-2,2-dimethyl-propyl]caprylimidate hydrobromide Formula: C22H39BrN2O MolecularWeight: 427.46186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=NCC(C)(C)C[N+](C)(C)CC1=CC=CC=C1)[O-].Br

Isomeric SMILES

CCCCCCCC(=NCC(C)(C)C[N+](C)(C)CC1=CC=CC=C1)[O-].Br

InChI

InChI=1S/C22H38N2O.BrH/c1-6-7-8-9-13-16-21(25)23-18-22(2,3)19-24(4,5)17-20-14-11-10-12-15-20;/h10-12,14-15H,6-9,13,16-19H2,1-5H3;1H