2-chloroethyl-ethyl-[2-[5-methyl-4-(phenylcarbonyloxy)-2-propan-2-yl-phenoxy]ethyl]azanium chloride

Systemtic Name: 2-chloroethyl-ethyl-[2-[5-methyl-4-(phenylcarbonyloxy)-2-propan-2-yl-phenoxy]ethyl]azanium chloride Openeye Name: 2-(4-benzoyloxy-2-isopropyl-5-methyl-phenoxy)ethyl-(2-chloroethyl)-ethyl-ammonium chloride CAS Name: 2-(4-benzoyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylammonium chloride IUPAC Name: 2-(4-benzoyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylazanium chloride Traditional Name: 2-(4-benzoyloxy-2-isopropyl-5-methyl-phenoxy)ethyl-(2-chloroethyl)-ethyl-ammonium chloride Formula: C23H31Cl2NO3 MolecularWeight: 440.40314

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CCOC1=C(C=C(C(=C1)C)OC(=O)C2=CC=CC=C2)C(C)C)CCCl.[Cl-]

Isomeric SMILES

CC[NH+](CCOC1=C(C=C(C(=C1)C)OC(=O)C2=CC=CC=C2)C(C)C)CCCl.[Cl-]

InChI

InChI=1S/C23H30ClNO3.ClH/c1-5-25(12-11-24)13-14-27-22-15-18(4)21(16-20(22)17(2)3)28-23(26)19-9-7-6-8-10-19;/h6-10,15-17H,5,11-14H2,1-4H3;1H