2-(4-acetyloxy-5-methyl-2-propan-2-yl-phenoxy)ethyl-(2-chloroethyl)-ethyl-azanium chloride

Systemtic Name: 2-(4-acetyloxy-5-methyl-2-propan-2-yl-phenoxy)ethyl-(2-chloroethyl)-ethyl-azanium chloride Openeye Name: 2-(4-acetoxy-2-isopropyl-5-methyl-phenoxy)ethyl-(2-chloroethyl)-ethyl-ammonium chloride CAS Name: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylammonium chloride IUPAC Name: 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylazanium chloride Traditional Name: 2-(4-acetoxy-2-isopropyl-5-methyl-phenoxy)ethyl-(2-chloroethyl)-ethyl-ammonium chloride Formula: C18H29Cl2NO3 MolecularWeight: 378.33376

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCOC1=C(C=C(C(=C1)C)OC(=O)C)C(C)C)CCCl.[Cl-]

Isomeric SMILES

CC[NH+](CCOC1=C(C=C(C(=C1)C)OC(=O)C)C(C)C)CCCl.[Cl-]

InChI

InChI=1S/C18H28ClNO3.ClH/c1-6-20(8-7-19)9-10-22-18-11-14(4)17(23-15(5)21)12-16(18)13(2)3;/h11-13H,6-10H2,1-5H3;1H