(5-bromanyl-2-phenylmethoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (5-bromanyl-2-phenylmethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(2-benzyloxy-5-bromo-phenyl)methyl]ammonium CAS Name: (5-bromo-2-phenylmethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-bromo-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-benzoxy-5-bromo-benzyl)-benzyl-ammonium Formula: C21H21BrNO+ MolecularWeight: 383.30154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO/c22-20-11-12-21(24-16-18-9-5-2-6-10-18)19(13-20)15-23-14-17-7-3-1-4-8-17/h1-13,23H,14-16H2/p+1