bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methyl-azanium bromide

Systemtic Name: bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methyl-azanium bromide Openeye Name: bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methyl-ammonium bromide CAS Name: bis[3-(2,5-dimethyl-1-pyrrolidinyl)propyl]-hexadecyl-methylammonium bromide IUPAC Name: bis[3-(2,5-dimethylpyrrolidin-1-yl)propyl]-hexadecyl-methylazanium bromide Traditional Name: cetyl-bis[3-(2,5-dimethylpyrrolidino)propyl]-methyl-ammonium bromide Formula: C35H72BrN3 MolecularWeight: 614.87028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCCN1C(CCC1C)C)CCCN2C(CCC2C)C.[Br-]

InChI

InChI=1S/C35H72N3.BrH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-38(6,30-21-27-36-32(2)23-24-33(36)3)31-22-28-37-34(4)25-26-35(37)5;/h32-35H,7-31H2,1-6H3;1H/q+1;/p-1