N-[5-[diethyl-(phenylmethyl)azaniumyl]pentan-2-yl]octadecanimidate hydrobromide

Systemtic Name: N-[5-[diethyl-(phenylmethyl)azaniumyl]pentan-2-yl]octadecanimidate hydrobromide Openeye Name: N-[4-[benzyl(diethyl)ammonio]-1-methyl-butyl]octadecanimidate hydrobromide CAS Name: N-[5-[diethyl-(phenylmethyl)ammonio]pentan-2-yl]octadecanimidate hydrobromide IUPAC Name: N-[5-[benzyl(diethyl)azaniumyl]pentan-2-yl]octadecanimidate hydrobromide Traditional Name: N-[4-[benzyl(diethyl)ammonio]-1-methyl-butyl]stearimidate hydrobromide Formula: C34H63BrN2O MolecularWeight: 595.78082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=NC(C)CCC[N+](CC)(CC)CC1=CC=CC=C1)[O-].Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=NC(C)CCC[N+](CC)(CC)CC1=CC=CC=C1)[O-].Br

InChI

InChI=1S/C34H62N2O.BrH/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-20-24-29-34(37)35-32(4)26-25-30-36(6-2,7-3)31-33-27-22-21-23-28-33;/h21-23,27-28,32H,5-20,24-26,29-31H2,1-4H3;1H