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

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-phenethyl-azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-phenethyl-ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-phenethylammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-phenethylazanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-phenethyl-ammonium Formula: C24H27BrNO2+ MolecularWeight: 441.38068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C[NH2+]CCC2=CC=CC=C2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C24H26BrNO2/c1-2-27-23-16-21(17-26-14-13-19-9-5-3-6-10-19)15-22(25)24(23)28-18-20-11-7-4-8-12-20/h3-12,15-16,26H,2,13-14,17-18H2,1H3/p+1