dimethyl-[3-[[(Z,12R)-12-oxidanyloctadec-9-enoyl]amino]propyl]-(phenylmethyl)azanium

Systemtic Name: dimethyl-[3-[[(Z,12R)-12-oxidanyloctadec-9-enoyl]amino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethyl-ammonium CAS Name: 3-[[(Z,12R)-12-hydroxy-1-oxooctadec-9-enyl]amino]propyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethylazanium Traditional Name: benzyl-[3-[[(Z,12R)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethyl-ammonium Formula: C30H53N2O2+ MolecularWeight: 473.75402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O

Isomeric SMILES

CCCCCC[C@H](C/C=C\CCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1)O

InChI

InChI=1S/C30H52N2O2/c1-4-5-6-16-22-29(33)23-17-11-9-7-8-10-12-18-24-30(34)31-25-19-26-32(2,3)27-28-20-14-13-15-21-28/h11,13-15,17,20-21,29,33H,4-10,12,16,18-19,22-27H2,1-3H3/p+1/b17-11-/t29-/m1/s1