[2-methyl-3-(1-phenylprop-2-enyl)nonadecan-2-yl]azanium chloride

Systemtic Name: [2-methyl-3-(1-phenylprop-2-enyl)nonadecan-2-yl]azanium chloride Openeye Name: [1,1-dimethyl-2-(1-phenylallyl)octadecyl]ammonium chloride CAS Name: [2-methyl-3-(1-phenylprop-2-enyl)nonadecan-2-yl]ammonium chloride IUPAC Name: [2-methyl-3-(1-phenylprop-2-enyl)nonadecan-2-yl]azanium chloride Traditional Name: (2-cetyl-1,1-dimethyl-3-phenyl-pent-4-enyl)ammonium chloride Formula: C29H52ClN MolecularWeight: 450.18288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(C=C)C1=CC=CC=C1)C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(C=C)C1=CC=CC=C1)C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C29H51N.ClH/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-22-25-28(29(3,4)30)27(6-2)26-23-20-19-21-24-26;/h6,19-21,23-24,27-28H,2,5,7-18,22,25,30H2,1,3-4H3;1H