(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(phenylmethyl)azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-benzyl-ammonium Formula: C23H25BrNO2+ MolecularWeight: 427.3541

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CC2=CC=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C23H24BrNO2/c1-2-26-22-14-20(16-25-15-18-9-5-3-6-10-18)13-21(24)23(22)27-17-19-11-7-4-8-12-19/h3-14,25H,2,15-17H2,1H3/p+1