(2,6-dimethyl-4-phenyl-heptan-4-yl)-(2-ethoxy-2-phenoxy-ethyl)-dimethyl-azanium chloride hydrate

Systemtic Name: (2,6-dimethyl-4-phenyl-heptan-4-yl)-(2-ethoxy-2-phenoxy-ethyl)-dimethyl-azanium chloride hydrate Openeye Name: (2-ethoxy-2-phenoxy-ethyl)-(1-isobutyl-3-methyl-1-phenyl-butyl)-dimethyl-ammonium chloride hydrate CAS Name: (2,6-dimethyl-4-phenylheptan-4-yl)-(2-ethoxy-2-phenoxyethyl)-dimethylammonium chloride hydrate IUPAC Name: (2,6-dimethyl-4-phenylheptan-4-yl)-(2-ethoxy-2-phenoxyethyl)-dimethylazanium chloride hydrate Traditional Name: (2-ethoxy-2-phenoxy-ethyl)-(1-isobutyl-3-methyl-1-phenyl-butyl)-dimethyl-ammonium chloride hydrate Formula: C27H44ClNO3 MolecularWeight: 466.09616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C[N+](C)(C)C(CC(C)C)(CC(C)C)C1=CC=CC=C1)OC2=CC=CC=C2.O.[Cl-]

Isomeric SMILES

CCOC(C[N+](C)(C)C(CC(C)C)(CC(C)C)C1=CC=CC=C1)OC2=CC=CC=C2.O.[Cl-]

InChI

InChI=1S/C27H42NO2.ClH.H2O/c1-8-29-26(30-25-17-13-10-14-18-25)21-28(6,7)27(19-22(2)3,20-23(4)5)24-15-11-9-12-16-24;;/h9-18,22-23,26H,8,19-21H2,1-7H3;1H;1H2/q+1;;/p-1