methyl-(4-phenylbutyl)-[3-(phenylcarbonyloxy)propyl]azanium chloride

Systemtic Name: methyl-(4-phenylbutyl)-[3-(phenylcarbonyloxy)propyl]azanium chloride Openeye Name: 3-benzoyloxypropyl-methyl-(4-phenylbutyl)ammonium chloride CAS Name: 3-benzoyloxypropyl-methyl-(4-phenylbutyl)ammonium chloride IUPAC Name: 3-benzoyloxypropyl-methyl-(4-phenylbutyl)azanium chloride Traditional Name: 3-benzoyloxypropyl-methyl-(4-phenylbutyl)ammonium chloride Formula: C21H28ClNO2 MolecularWeight: 361.90552

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCC1=CC=CC=C1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

C[NH+](CCCCC1=CC=CC=C1)CCCOC(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C21H27NO2.ClH/c1-22(16-9-8-13-19-11-4-2-5-12-19)17-10-18-24-21(23)20-14-6-3-7-15-20;/h2-7,11-12,14-15H,8-10,13,16-18H2,1H3;1H