2-chloroethyl-ethyl-[2-[5-methyl-2-propan-2-yl-4-(3,4,5-trimethoxyphenyl)carbonyloxy-phenoxy]ethyl]azanium chloride

Systemtic Name: 2-chloroethyl-ethyl-[2-[5-methyl-2-propan-2-yl-4-(3,4,5-trimethoxyphenyl)carbonyloxy-phenoxy]ethyl]azanium chloride Openeye Name: 2-chloroethyl-ethyl-[2-[2-isopropyl-5-methyl-4-(3,4,5-trimethoxybenzoyl)oxy-phenoxy]ethyl]ammonium chloride CAS Name: 2-chloroethyl-ethyl-[2-[5-methyl-4-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-2-propan-2-ylphenoxy]ethyl]ammonium chloride IUPAC Name: 2-chloroethyl-ethyl-[2-[5-methyl-2-propan-2-yl-4-(3,4,5-trimethoxybenzoyl)oxyphenoxy]ethyl]azanium chloride Traditional Name: 2-chloroethyl-ethyl-[2-[2-isopropyl-5-methyl-4-(3,4,5-trimethoxybenzoyl)oxy-phenoxy]ethyl]ammonium chloride Formula: C26H37Cl2NO6 MolecularWeight: 530.48108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36ClNO6.ClH/c1-8-28(10-9-27)11-12-33-22-13-18(4)21(16-20(22)17(2)3)34-26(29)19-14-23(30-5)25(32-7)24(15-19)31-6;/h13-17H,8-12H2,1-7H3;1H