dimethyl-[5-methyl-3-(2-methylpropyl)-2-phenoxy-1-phenyl-hexan-2-yl]oxy-azanium chloride

Systemtic Name: dimethyl-[5-methyl-3-(2-methylpropyl)-2-phenoxy-1-phenyl-hexan-2-yl]oxy-azanium chloride Openeye Name: (1-benzyl-2-isobutyl-4-methyl-1-phenoxy-pentoxy)-dimethyl-ammonium chloride CAS Name: dimethyl-[5-methyl-3-(2-methylpropyl)-2-phenoxy-1-phenylhexan-2-yl]oxyammonium chloride IUPAC Name: dimethyl-[5-methyl-3-(2-methylpropyl)-2-phenoxy-1-phenylhexan-2-yl]oxyazanium chloride Traditional Name: (1-benzyl-2-isobutyl-4-methyl-1-phenoxy-pentoxy)-dimethyl-ammonium chloride Formula: C25H38ClNO2 MolecularWeight: 420.02772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(C)C)C(CC1=CC=CC=C1)(OC2=CC=CC=C2)O[NH+](C)C.[Cl-]

Isomeric SMILES

CC(C)CC(CC(C)C)C(CC1=CC=CC=C1)(OC2=CC=CC=C2)O[NH+](C)C.[Cl-]

InChI

InChI=1S/C25H37NO2.ClH/c1-20(2)17-23(18-21(3)4)25(28-26(5)6,19-22-13-9-7-10-14-22)27-24-15-11-8-12-16-24;/h7-16,20-21,23H,17-19H2,1-6H3;1H