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

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

Systemtic Name:di(heptadecan-2-yl)-(phenylmethyl)azanium chloride
Openeye Name:benzyl-bis(1-methylhexadecyl)ammonium chloride
CAS Name:di(heptadecan-2-yl)-(phenylmethyl)ammonium chloride
IUPAC Name:benzyl-di(heptadecan-2-yl)azanium chloride
Traditional Name:benzyl-bis(1-methylhexadecyl)ammonium chloride
Formula: C41H78ClN
MolecularWeight: 620.51772
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C)[NH+](CC1=CC=CC=C1)C(C)CCCCCCCCCCCCCCC.[Cl-]


Isomeric SMILES

CCCCCCCCCCCCCCCC(C)[NH+](CC1=CC=CC=C1)C(C)CCCCCCCCCCCCCCC.[Cl-]


InChI

InChI=1S/C41H77N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-30-34-39(3)42(38-41-36-32-29-33-37-41)40(4)35-31-28-26-24-22-20-18-16-14-12-10-8-6-2;/h29,32-33,36-37,39-40H,5-28,30-31,34-35,38H2,1-4H3;1H


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