2-(diphenylmethyl)oxyethyl-[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]-dimethyl-azanium chloride

Systemtic Name: 2-(diphenylmethyl)oxyethyl-[2-(2-ethylhexoxy)-2-oxidanylidene-ethyl]-dimethyl-azanium chloride Openeye Name: 2-benzhydryloxyethyl-[2-(2-ethylhexoxy)-2-oxo-ethyl]-dimethyl-ammonium chloride CAS Name: 2-(diphenylmethyl)oxyethyl-[2-(2-ethylhexoxy)-2-oxoethyl]-dimethylammonium chloride IUPAC Name: 2-benzhydryloxyethyl-[2-(2-ethylhexoxy)-2-oxoethyl]-dimethylazanium chloride Traditional Name: 2-benzhydryloxyethyl-[2-(2-ethylhexoxy)-2-keto-ethyl]-dimethyl-ammonium chloride Formula: C27H40ClNO3 MolecularWeight: 462.0644

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)COC(=O)C[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCC(CC)COC(=O)C[N+](C)(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C27H40NO3.ClH/c1-5-7-14-23(6-2)22-31-26(29)21-28(3,4)19-20-30-27(24-15-10-8-11-16-24)25-17-12-9-13-18-25;/h8-13,15-18,23,27H,5-7,14,19-22H2,1-4H3;1H/q+1;/p-1