2-[2-[2-(2-cyclohexylethyl)phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium chloride

Systemtic Name: 2-[2-[2-(2-cyclohexylethyl)phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium chloride Openeye Name: 2-[2-[2-(2-cyclohexylethyl)phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium chloride CAS Name: 2-[2-[2-(2-cyclohexylethyl)phenoxy]ethyl]-1-methylpyrrolidin-1-ium chloride IUPAC Name: 2-[2-[2-(2-cyclohexylethyl)phenoxy]ethyl]-1-methylpyrrolidin-1-ium chloride Traditional Name: 2-[2-[2-(2-cyclohexylethyl)phenoxy]ethyl]-1-methyl-pyrrolidin-1-ium chloride Formula: C21H34ClNO MolecularWeight: 351.95376

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1CCOC2=CC=CC=C2CCC3CCCCC3.[Cl-]

Isomeric SMILES

C[NH+]1CCCC1CCOC2=CC=CC=C2CCC3CCCCC3.[Cl-]

InChI

InChI=1S/C21H33NO.ClH/c1-22-16-7-11-20(22)15-17-23-21-12-6-5-10-19(21)14-13-18-8-3-2-4-9-18;/h5-6,10,12,18,20H,2-4,7-9,11,13-17H2,1H3;1H