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

Systemtic Name: diethyl-methyl-(3-oxidanyl-1,3,3-triphenyl-propyl)azanium chloride hydrate Openeye Name: diethyl-(3-hydroxy-1,3,3-triphenyl-propyl)-methyl-ammonium chloride hydrate CAS Name: diethyl-(3-hydroxy-1,3,3-triphenylpropyl)-methylammonium chloride hydrate IUPAC Name: diethyl-(3-hydroxy-1,3,3-triphenylpropyl)-methylazanium chloride hydrate Traditional Name: diethyl-(3-hydroxy-1,3,3-triphenyl-propyl)-methyl-ammonium chloride hydrate Formula: C26H34ClNO2 MolecularWeight: 428.00666

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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.O.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C26H32NO.ClH.H2O/c1-4-27(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;;/h6-20,25,28H,4-5,21H2,1-3H3;1H;1H2/q+1;;/p-1