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

Systemtic Name: N-[5-[diethyl(prop-2-enyl)azaniumyl]pentan-2-yl]octadecanimidate hydrobromide Openeye Name: N-[4-[allyl(diethyl)ammonio]-1-methyl-butyl]octadecanimidate hydrobromide CAS Name: N-[5-[diethyl(prop-2-enyl)ammonio]pentan-2-yl]octadecanimidate hydrobromide IUPAC Name: N-[5-[diethyl(prop-2-enyl)azaniumyl]pentan-2-yl]octadecanimidate hydrobromide Traditional Name: N-[4-[allyl(diethyl)ammonio]-1-methyl-butyl]stearimidate hydrobromide Formula: C30H61BrN2O MolecularWeight: 545.72214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H60N2O.BrH/c1-6-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30(33)31-29(5)25-24-28-32(8-3,9-4)27-7-2;/h7,29H,2,6,8-28H2,1,3-5H3;1H