(2-cyclopentyl-2-phenyl-ethanoyl)oxymethyl-methyl-bis(2-propoxyethyl)azanium chloride

Systemtic Name: (2-cyclopentyl-2-phenyl-ethanoyl)oxymethyl-methyl-bis(2-propoxyethyl)azanium chloride Openeye Name: (2-cyclopentyl-2-phenyl-acetyl)oxymethyl-methyl-bis(2-propoxyethyl)ammonium chloride CAS Name: (2-cyclopentyl-1-oxo-2-phenylethoxy)methyl-methyl-bis(2-propoxyethyl)ammonium chloride IUPAC Name: (2-cyclopentyl-2-phenylacetyl)oxymethyl-methyl-bis(2-propoxyethyl)azanium chloride Traditional Name: (2-cyclopentyl-2-phenyl-acetyl)oxymethyl-methyl-bis(2-propoxyethyl)ammonium chloride Formula: C25H42ClNO4 MolecularWeight: 456.05828

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC[N+](C)(CCOCCC)COC(=O)C(C1CCCC1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCOCC[N+](C)(CCOCCC)COC(=O)C(C1CCCC1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C25H42NO4.ClH/c1-4-17-28-19-15-26(3,16-20-29-18-5-2)21-30-25(27)24(23-13-9-10-14-23)22-11-7-6-8-12-22;/h6-8,11-12,23-24H,4-5,9-10,13-21H2,1-3H3;1H/q+1;/p-1