dimethyl-bis[(E)-12-oxidanyloctadec-9-enoyl]azanium

Systemtic Name: dimethyl-bis[(E)-12-oxidanyloctadec-9-enoyl]azanium Openeye Name: bis[(E)-12-hydroxyoctadec-9-enoyl]-dimethyl-ammonium CAS Name: bis[(E)-12-hydroxy-1-oxooctadec-9-enyl]-dimethylammonium IUPAC Name: bis[(E)-12-hydroxyoctadec-9-enoyl]-dimethylazanium Traditional Name: bis[(E)-12-hydroxyoctadec-9-enoyl]-dimethyl-ammonium Formula: C38H72NO4+ MolecularWeight: 606.98258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)[N+](C)(C)C(=O)CCCCCCCC=CCC(CCCCCC)O)O

Isomeric SMILES

CCCCCCC(O)C/C=C/CCCCCCCC(=O)[N+](C(=O)CCCCCCC/C=C/CC(O)CCCCCC)(C)C

InChI

InChI=1S/C38H72NO4/c1-5-7-9-23-29-35(40)31-25-19-15-11-13-17-21-27-33-37(42)39(3,4)38(43)34-28-22-18-14-12-16-20-26-32-36(41)30-24-10-8-6-2/h19-20,25-26,35-36,40-41H,5-18,21-24,27-34H2,1-4H3/q+1/b25-19+,26-20+