bis[(2-methylphenyl)methyl]-[1-(phenylcarbonyloxy)ethyl]azanium chloride

Systemtic Name: bis[(2-methylphenyl)methyl]-[1-(phenylcarbonyloxy)ethyl]azanium chloride Openeye Name: 1-benzoyloxyethyl-bis(o-tolylmethyl)ammonium chloride CAS Name: 1-benzoyloxyethyl-bis[(2-methylphenyl)methyl]ammonium chloride IUPAC Name: 1-benzoyloxyethyl-bis[(2-methylphenyl)methyl]azanium chloride Traditional Name: 1-benzoyloxyethyl-bis(2-methylbenzyl)ammonium chloride Formula: C25H28ClNO2 MolecularWeight: 409.94832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+](CC2=CC=CC=C2C)C(C)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC1=CC=CC=C1C[NH+](CC2=CC=CC=C2C)C(C)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C25H27NO2.ClH/c1-19-11-7-9-15-23(19)17-26(18-24-16-10-8-12-20(24)2)21(3)28-25(27)22-13-5-4-6-14-22;/h4-16,21H,17-18H2,1-3H3;1H