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

Systemtic Name: (3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)methyl-[(1R)-1-phenylethyl]azanium Openeye Name: (4-benzyloxy-3-bromo-5-methoxy-phenyl)methyl-[(1R)-1-phenylethyl]ammonium CAS Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[(1R)-1-phenylethyl]ammonium IUPAC Name: (3-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-[(1R)-1-phenylethyl]azanium Traditional Name: (4-benzoxy-3-bromo-5-methoxy-benzyl)-[(1R)-1-phenylethyl]ammonium Formula: C23H25BrNO2+ MolecularWeight: 427.3541

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24BrNO2/c1-17(20-11-7-4-8-12-20)25-15-19-13-21(24)23(22(14-19)26-2)27-16-18-9-5-3-6-10-18/h3-14,17,25H,15-16H2,1-2H3/p+1/t17-/m1/s1