(5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(4-methylphenyl)methyl]azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-[(4-methylphenyl)methyl]azanium Openeye Name: (2-benzyloxy-5-bromo-phenyl)methyl-(p-tolylmethyl)ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[(4-methylphenyl)methyl]ammonium IUPAC Name: (5-bromo-2-phenylmethoxyphenyl)methyl-[(4-methylphenyl)methyl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-(4-methylbenzyl)ammonium Formula: C22H23BrNO+ MolecularWeight: 397.32812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=C(C=CC(=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H22BrNO/c1-17-7-9-18(10-8-17)14-24-15-20-13-21(23)11-12-22(20)25-16-19-5-3-2-4-6-19/h2-13,24H,14-16H2,1H3/p+1