diethyl-methyl-(3-oxidanyl-1,3,3-triphenyl-propyl)azanium dichloride hydrate

Systemtic Name: diethyl-methyl-(3-oxidanyl-1,3,3-triphenyl-propyl)azanium dichloride hydrate Openeye Name: diethyl-(3-hydroxy-1,3,3-triphenyl-propyl)-methyl-ammonium dichloride hydrate CAS Name: diethyl-(3-hydroxy-1,3,3-triphenylpropyl)-methylammonium dichloride hydrate IUPAC Name: diethyl-(3-hydroxy-1,3,3-triphenylpropyl)-methylazanium dichloride hydrate Traditional Name: diethyl-(3-hydroxy-1,3,3-triphenyl-propyl)-methyl-ammonium dichloride hydrate Formula: C52H66Cl2N2O3 MolecularWeight: 837.99804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C26H32NO.2ClH.H2O/c2*1-4-27(3,5-2)25(22-15-9-6-10-16-22)21-26(28,23-17-11-7-12-18-23)24-19-13-8-14-20-24;;;/h2*6-20,25,28H,4-5,21H2,1-3H3;2*1H;1H2/q2*+1;;;/p-2