octadecyl(4-phenylbutan-2-yl)azanium chloride

Systemtic Name: octadecyl(4-phenylbutan-2-yl)azanium chloride Openeye Name: (1-methyl-3-phenyl-propyl)-octadecyl-ammonium chloride CAS Name: octadecyl(4-phenylbutan-2-yl)ammonium chloride IUPAC Name: octadecyl(4-phenylbutan-2-yl)azanium chloride Traditional Name: (1-methyl-3-phenyl-propyl)-stearyl-ammonium chloride Formula: C28H52ClN MolecularWeight: 438.17218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH2+]C(C)CCC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH2+]C(C)CCC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C28H51N.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29-27(2)24-25-28-22-19-18-20-23-28;/h18-20,22-23,27,29H,3-17,21,24-26H2,1-2H3;1H