1-[2,3-dimethyl-4,5-bis(2-methylpropyl)-6-phenoxy-phenyl]propylazanium chloride

Systemtic Name: 1-[2,3-dimethyl-4,5-bis(2-methylpropyl)-6-phenoxy-phenyl]propylazanium chloride Openeye Name: 1-(4,5-diisobutyl-2,3-dimethyl-6-phenoxy-phenyl)propylammonium chloride CAS Name: 1-[2,3-dimethyl-4,5-bis(2-methylpropyl)-6-phenoxyphenyl]propylammonium chloride IUPAC Name: 1-[2,3-dimethyl-4,5-bis(2-methylpropyl)-6-phenoxyphenyl]propylazanium chloride Traditional Name: 1-(4,5-diisobutyl-2,3-dimethyl-6-phenoxy-phenyl)propylammonium chloride Formula: C25H38ClNO MolecularWeight: 404.02832

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C(=C(C(=C1C)C)CC(C)C)CC(C)C)OC2=CC=CC=C2)[NH3+].[Cl-]

Isomeric SMILES

CCC(C1=C(C(=C(C(=C1C)C)CC(C)C)CC(C)C)OC2=CC=CC=C2)[NH3+].[Cl-]

InChI

InChI=1S/C25H37NO.ClH/c1-8-23(26)24-19(7)18(6)21(14-16(2)3)22(15-17(4)5)25(24)27-20-12-10-9-11-13-20;/h9-13,16-17,23H,8,14-15,26H2,1-7H3;1H