[(1R)-1-(1-adamantyl)ethyl]-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromanyl-3-methoxy-2-phenylmethoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(2-benzyloxy-5-bromo-3-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromo-3-methoxy-2-phenylmethoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(2-benzoxy-5-bromo-3-methoxy-benzyl)ammonium Formula: C27H35BrNO2+ MolecularWeight: 485.4763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=CC(=C4OCC5=CC=CC=C5)OC)Br

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=CC(=C4OCC5=CC=CC=C5)OC)Br

InChI

InChI=1S/C27H34BrNO2/c1-18(27-13-20-8-21(14-27)10-22(9-20)15-27)29-16-23-11-24(28)12-25(30-2)26(23)31-17-19-6-4-3-5-7-19/h3-7,11-12,18,20-22,29H,8-10,13-17H2,1-2H3/p+1/t18-,20?,21?,22?,27?/m1/s1