(3-ethyl-6-oxidanyl-4,6,6-triphenyl-hexan-3-yl)azanium chloride hydrate

Systemtic Name: (3-ethyl-6-oxidanyl-4,6,6-triphenyl-hexan-3-yl)azanium chloride hydrate Openeye Name: (1,1-diethyl-4-hydroxy-2,4,4-triphenyl-butyl)ammonium chloride hydrate CAS Name: (3-ethyl-6-hydroxy-4,6,6-triphenylhexan-3-yl)ammonium chloride hydrate IUPAC Name: (3-ethyl-6-hydroxy-4,6,6-triphenylhexan-3-yl)azanium chloride hydrate Traditional Name: (1,1-diethyl-4-hydroxy-2,4,4-triphenyl-butyl)ammonium chloride hydrate Formula: C26H34ClNO2 MolecularWeight: 428.00666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3)[NH3+].O.[Cl-]

Isomeric SMILES

CCC(CC)(C(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)C3=CC=CC=C3)[NH3+].O.[Cl-]

InChI

InChI=1S/C26H31NO.ClH.H2O/c1-3-25(27,4-2)24(21-14-8-5-9-15-21)20-26(28,22-16-10-6-11-17-22)23-18-12-7-13-19-23;;/h5-19,24,28H,3-4,20,27H2,1-2H3;1H;1H2