bis[(2-methylphenyl)methyl]-[(Z)-octadec-9-enyl]azanium chloride

Systemtic Name: bis[(2-methylphenyl)methyl]-[(Z)-octadec-9-enyl]azanium chloride Openeye Name: [(Z)-octadec-9-enyl]-bis(o-tolylmethyl)ammonium chloride CAS Name: bis[(2-methylphenyl)methyl]-[(Z)-octadec-9-enyl]ammonium chloride IUPAC Name: bis[(2-methylphenyl)methyl]-[(Z)-octadec-9-enyl]azanium chloride Traditional Name: bis(2-methylbenzyl)-[(Z)-octadec-9-enyl]ammonium chloride Formula: C34H54ClN MolecularWeight: 512.25226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC[NH+](CC1=CC=CC=C1C)CC2=CC=CC=C2C.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCC[NH+](CC1=CC=CC=C1C)CC2=CC=CC=C2C.[Cl-]

InChI

InChI=1S/C34H53N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-35(29-33-26-21-19-24-31(33)2)30-34-27-22-20-25-32(34)3;/h11-12,19-22,24-27H,4-10,13-18,23,28-30H2,1-3H3;1H/b12-11-;