2-hydroxyethyl-methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]-(phenylmethyl)azanium

Systemtic Name: 2-hydroxyethyl-methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-hydroxyethyl)-methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[3-[[(E)-1-oxooctadec-9-enyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-methyl-[3-[[(E)-octadec-9-enoyl]amino]propyl]ammonium Formula: C31H55N2O2+ MolecularWeight: 487.7806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCCC[N+](C)(CCO)CC1=CC=CC=C1

InChI

InChI=1S/C31H54N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-31(35)32-25-21-26-33(2,27-28-34)29-30-22-18-17-19-23-30/h10-11,17-19,22-23,34H,3-9,12-16,20-21,24-29H2,1-2H3/p+1/b11-10+