2-[2-[1-(2,7-dimethyl-4-phenylmethoxy-octan-4-yl)oxyethyl]phenyl]propan-2-ylazanium chloride

Systemtic Name: 2-[2-[1-(2,7-dimethyl-4-phenylmethoxy-octan-4-yl)oxyethyl]phenyl]propan-2-ylazanium chloride Openeye Name: [1-[2-[1-(1-benzyloxy-1-isobutyl-4-methyl-pentoxy)ethyl]phenyl]-1-methyl-ethyl]ammonium chloride CAS Name: 2-[2-[1-(2,7-dimethyl-4-phenylmethoxyoctan-4-yl)oxyethyl]phenyl]propan-2-ylammonium chloride IUPAC Name: 2-[2-[1-(2,7-dimethyl-4-phenylmethoxyoctan-4-yl)oxyethyl]phenyl]propan-2-ylazanium chloride Traditional Name: [1-[2-[1-(1-benzoxy-1-isobutyl-4-methyl-pentoxy)ethyl]phenyl]-1-methyl-ethyl]ammonium chloride Formula: C28H44ClNO2 MolecularWeight: 462.10746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC(C)C)(OCC1=CC=CC=C1)OC(C)C2=CC=CC=C2C(C)(C)[NH3+].[Cl-]

Isomeric SMILES

CC(C)CCC(CC(C)C)(OCC1=CC=CC=C1)OC(C)C2=CC=CC=C2C(C)(C)[NH3+].[Cl-]

InChI

InChI=1S/C28H43NO2.ClH/c1-21(2)17-18-28(19-22(3)4,30-20-24-13-9-8-10-14-24)31-23(5)25-15-11-12-16-26(25)27(6,7)29;/h8-16,21-23H,17-20,29H2,1-7H3;1H