(2,6-dimethyl-4-phenyl-heptan-4-yl)-dimethyl-(2-phenoxyethyl)azanium chloride hydrate

Systemtic Name: (2,6-dimethyl-4-phenyl-heptan-4-yl)-dimethyl-(2-phenoxyethyl)azanium chloride hydrate Openeye Name: (1-isobutyl-3-methyl-1-phenyl-butyl)-dimethyl-(2-phenoxyethyl)ammonium chloride hydrate CAS Name: (2,6-dimethyl-4-phenylheptan-4-yl)-dimethyl-(2-phenoxyethyl)ammonium chloride hydrate IUPAC Name: (2,6-dimethyl-4-phenylheptan-4-yl)-dimethyl-(2-phenoxyethyl)azanium chloride hydrate Traditional Name: (1-isobutyl-3-methyl-1-phenyl-butyl)-dimethyl-(2-phenoxyethyl)ammonium chloride hydrate Formula: C25H40ClNO2 MolecularWeight: 422.0436

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)(C1=CC=CC=C1)[N+](C)(C)CCOC2=CC=CC=C2.O.[Cl-]

Isomeric SMILES

CC(C)CC(CC(C)C)(C1=CC=CC=C1)[N+](C)(C)CCOC2=CC=CC=C2.O.[Cl-]

InChI

InChI=1S/C25H38NO.ClH.H2O/c1-21(2)19-25(20-22(3)4,23-13-9-7-10-14-23)26(5,6)17-18-27-24-15-11-8-12-16-24;;/h7-16,21-22H,17-20H2,1-6H3;1H;1H2/q+1;;/p-1