methyl-bis[(E)-octadec-9-enoyl]-(phenylmethyl)azanium chloride

Systemtic Name: methyl-bis[(E)-octadec-9-enoyl]-(phenylmethyl)azanium chloride Openeye Name: benzyl-methyl-bis[(E)-octadec-9-enoyl]ammonium chloride CAS Name: methyl-bis[(E)-1-oxooctadec-9-enyl]-(phenylmethyl)ammonium chloride IUPAC Name: benzyl-methyl-bis[(E)-octadec-9-enoyl]azanium chloride Traditional Name: benzyl-methyl-bis[(E)-octadec-9-enoyl]ammonium chloride Formula: C44H76ClNO2 MolecularWeight: 686.53274

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+](C)(CC1=CC=CC=C1)C(=O)CCCCCCCC=CCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+](C(=O)CCCCCCC/C=C/CCCCCCCC)(CC1=CC=CC=C1)C.[Cl-]

InChI

InChI=1S/C44H76NO2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-35-39-43(46)45(3,41-42-37-33-32-34-38-42)44(47)40-36-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h18-21,32-34,37-38H,4-17,22-31,35-36,39-41H2,1-3H3;1H/q+1;/p-1/b20-18+,21-19+;