2,3-bis[(E)-pentadec-6-enoxy]propyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2,3-bis[(E)-pentadec-6-enoxy]propyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2,3-bis[(E)-pentadec-6-enoxy]propyl]-dimethyl-ammonium CAS Name: 2,3-bis[(E)-pentadec-6-enoxy]propyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2,3-bis[(E)-pentadec-6-enoxy]propyl]-dimethylazanium Traditional Name: benzyl-[2,3-bis[(E)-pentadec-6-enoxy]propyl]-dimethyl-ammonium Formula: C42H76NO2+ MolecularWeight: 627.05834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)OCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCC/C=C/CCCCCOCC(C[N+](C)(C)CC1=CC=CC=C1)OCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H76NO2/c1-5-7-9-11-13-15-17-19-21-23-25-27-32-36-44-40-42(39-43(3,4)38-41-34-30-29-31-35-41)45-37-33-28-26-24-22-20-18-16-14-12-10-8-6-2/h19-22,29-31,34-35,42H,5-18,23-28,32-33,36-40H2,1-4H3/q+1/b21-19+,22-20+