[2-methyl-3-[6-(4-methylphenoxy)-6-oxidanylidene-hexyl]heptadecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-[6-(4-methylphenoxy)-6-oxidanylidene-hexyl]heptadecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-[6-(4-methylphenoxy)-6-oxo-hexyl]hexadecyl]ammonium chloride CAS Name: [2-methyl-3-[6-(4-methylphenoxy)-6-oxohexyl]heptadecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-[6-(4-methylphenoxy)-6-oxohexyl]heptadecan-2-yl]azanium chloride Traditional Name: [2-[6-keto-6-(4-methylphenoxy)hexyl]-1,1-dimethyl-hexadecyl]ammonium chloride Formula: C31H56ClNO2 MolecularWeight: 510.23484

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CCCCCC(=O)OC1=CC=C(C=C1)C)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCC(CCCCCC(=O)OC1=CC=C(C=C1)C)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C31H55NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-17-20-28(31(3,4)32)21-18-16-19-22-30(33)34-29-25-23-27(2)24-26-29;/h23-26,28H,5-22,32H2,1-4H3;1H