[2-(4-butoxyphenyl)carbonyloxy-2-(dimethylaminomethyl)-4-phenyl-butyl]-dimethyl-azanium chloride

Systemtic Name: [2-(4-butoxyphenyl)carbonyloxy-2-(dimethylaminomethyl)-4-phenyl-butyl]-dimethyl-azanium chloride Openeye Name: [2-(4-butoxybenzoyl)oxy-2-(dimethylaminomethyl)-4-phenyl-butyl]-dimethyl-ammonium chloride CAS Name: [2-[(4-butoxyphenyl)-oxomethoxy]-2-(dimethylaminomethyl)-4-phenylbutyl]-dimethylammonium chloride IUPAC Name: [2-(4-butoxybenzoyl)oxy-2-(dimethylaminomethyl)-4-phenylbutyl]-dimethylazanium chloride Traditional Name: [2-(4-butoxybenzoyl)oxy-2-(dimethylaminomethyl)-4-phenyl-butyl]-dimethyl-ammonium chloride Formula: C26H39ClN2O3 MolecularWeight: 463.05246

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(C[NH+](C)C)CN(C)C.[Cl-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OC(CCC2=CC=CC=C2)(C[NH+](C)C)CN(C)C.[Cl-]

InChI

InChI=1S/C26H38N2O3.ClH/c1-6-7-19-30-24-15-13-23(14-16-24)25(29)31-26(20-27(2)3,21-28(4)5)18-17-22-11-9-8-10-12-22;/h8-16H,6-7,17-21H2,1-5H3;1H