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dimethyl-octadecyl-(1-phenylheptadecyl)azanium bromide

dimethyl-octadecyl-(1-phenylheptadecyl)azanium bromide

Systemtic Name:dimethyl-octadecyl-(1-phenylheptadecyl)azanium bromide
Openeye Name:dimethyl-octadecyl-(1-phenylheptadecyl)ammonium bromide
CAS Name:dimethyl-octadecyl-(1-phenylheptadecyl)ammonium bromide
IUPAC Name:dimethyl-octadecyl-(1-phenylheptadecyl)azanium bromide
Traditional Name:dimethyl-(1-phenylheptadecyl)-stearyl-ammonium bromide
Formula: C43H82BrN
MolecularWeight: 693.02188
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCCCCCCCCC)C1=CC=CC=C1.[Br-]


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(CCCCCCCCCCCCCCCC)C1=CC=CC=C1.[Br-]


InChI

InChI=1S/C43H82N.BrH/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-37-41-44(3,4)43(42-38-34-33-35-39-42)40-36-31-29-27-25-23-20-18-16-14-12-10-8-6-2;/h33-35,38-39,43H,5-32,36-37,40-41H2,1-4H3;1H/q+1;/p-1


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