3-[[(E)-docos-13-enoyl]amino]propyl-pentan-3-yl-azanium chloride

Systemtic Name: 3-[[(E)-docos-13-enoyl]amino]propyl-pentan-3-yl-azanium chloride Openeye Name: 3-[[(E)-docos-13-enoyl]amino]propyl-(1-ethylpropyl)ammonium chloride CAS Name: 3-[[(E)-1-oxodocos-13-enyl]amino]propyl-pentan-3-ylammonium chloride IUPAC Name: 3-[[(E)-docos-13-enoyl]amino]propyl-pentan-3-ylazanium chloride Traditional Name: 3-[[(E)-docos-13-enoyl]amino]propyl-(1-ethylpropyl)ammonium chloride Formula: C30H61ClN2O MolecularWeight: 501.27114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCC[NH2+]C(CC)CC.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)NCCC[NH2+]C(CC)CC.[Cl-]

InChI

InChI=1S/C30H60N2O.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-30(33)32-28-25-27-31-29(5-2)6-3;/h13-14,29,31H,4-12,15-28H2,1-3H3,(H,32,33);1H/b14-13+;