dimethyl-bis[(E)-octadec-9-enyl]azanium; tridodecyl(methyl)azanium; dichloride

Systemtic Name: dimethyl-bis[(E)-octadec-9-enyl]azanium; tridodecyl(methyl)azanium; dichloride Openeye Name: dimethyl-bis[(E)-octadec-9-enyl]ammonium; tridodecyl(methyl)ammonium; dichloride CAS Name: dimethyl-bis[(E)-octadec-9-enyl]ammonium; tridodecyl(methyl)ammonium; dichloride IUPAC Name: dimethyl-bis[(E)-octadec-9-enyl]azanium; tridodecyl(methyl)azanium; dichloride Traditional Name: dimethyl-bis[(E)-octadec-9-enyl]ammonium; trilauryl(methyl)ammonium; dichloride Formula: C75H154Cl2N2 MolecularWeight: 1154.94466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CCCCCCCCCCCC)CCCCCCCCCCCC.CCCCCCCCC=CCCCCCCCC[N+](C)(C)CCCCCCCCC=CCCCCCCCC.[Cl-].[Cl-]

Isomeric SMILES

CCCCCCCCCCCC[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C.CCCCCCCC/C=C/CCCCCCCC[N+](CCCCCCCC/C=C/CCCCCCCC)(C)C.[Cl-].[Cl-]

InChI

InChI=1S/C38H76N.C37H78N.2ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-5-8-11-14-17-20-23-26-29-32-35-38(4,36-33-30-27-24-21-18-15-12-9-6-2)37-34-31-28-25-22-19-16-13-10-7-3;;/h19-22H,5-18,23-38H2,1-4H3;5-37H2,1-4H3;2*1H/q2*+1;;/p-2/b21-19+,22-20+;;;