(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium

Systemtic Name: (3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C24H27BrNO2+ MolecularWeight: 441.38068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26BrNO2/c1-3-27-23-15-20(16-26-18(2)21-12-8-5-9-13-21)14-22(25)24(23)28-17-19-10-6-4-7-11-19/h4-15,18,26H,3,16-17H2,1-2H3/p+1/t18-/m1/s1