di(nonadecan-2-yl)-(phenylmethyl)azanium chloride

Systemtic Name: di(nonadecan-2-yl)-(phenylmethyl)azanium chloride Openeye Name: benzyl-bis(1-methyloctadecyl)ammonium chloride CAS Name: di(nonadecan-2-yl)-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-di(nonadecan-2-yl)azanium chloride Traditional Name: benzyl-bis(1-methyloctadecyl)ammonium chloride Formula: C45H86ClN MolecularWeight: 676.62404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C)[NH+](CC1=CC=CC=C1)C(C)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C)[NH+](CC1=CC=CC=C1)C(C)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C45H85N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-38-43(3)46(42-45-40-36-33-37-41-45)44(4)39-35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h33,36-37,40-41,43-44H,5-32,34-35,38-39,42H2,1-4H3;1H