3-azanylpropyl-methyl-bis[(E)-octadec-9-enyl]azanium bromide

Systemtic Name: 3-azanylpropyl-methyl-bis[(E)-octadec-9-enyl]azanium bromide Openeye Name: 3-aminopropyl-methyl-bis[(E)-octadec-9-enyl]ammonium bromide CAS Name: 3-aminopropyl-methyl-bis[(E)-octadec-9-enyl]ammonium bromide IUPAC Name: 3-aminopropyl-methyl-bis[(E)-octadec-9-enyl]azanium bromide Traditional Name: 3-aminopropyl-methyl-bis[(E)-octadec-9-enyl]ammonium bromide Formula: C40H81BrN2 MolecularWeight: 669.98854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[N+](C)(CCCCCCCCC=CCCCCCCCC)CCCN.[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC[N+](CCCN)(CCCCCCCC/C=C/CCCCCCCC)C.[Br-]

InChI

InChI=1S/C40H81N2.BrH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-42(3,40-36-37-41)39-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21H,4-17,22-41H2,1-3H3;1H/q+1;/p-1/b20-18+,21-19+;