2-(2-hexadecylphenyl)propan-2-ylazanium chloride hydrate

Systemtic Name: 2-(2-hexadecylphenyl)propan-2-ylazanium chloride hydrate Openeye Name: [1-(2-hexadecylphenyl)-1-methyl-ethyl]ammonium chloride hydrate CAS Name: 2-(2-hexadecylphenyl)propan-2-ylammonium chloride hydrate IUPAC Name: 2-(2-hexadecylphenyl)propan-2-ylazanium chloride hydrate Traditional Name: [1-(2-cetylphenyl)-1-methyl-ethyl]ammonium chloride hydrate Formula: C25H48ClNO MolecularWeight: 414.10772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].O.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCC1=CC=CC=C1C(C)(C)[NH3+].O.[Cl-]

InChI

InChI=1S/C25H45N.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22-24(23)25(2,3)26;;/h18-19,21-22H,4-17,20,26H2,1-3H3;1H;1H2