[(1R)-1-(1-adamantyl)ethyl]-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromanyl-4,5-dimethoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromo-4,5-dimethoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromo-4,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(3-bromo-4,5-dimethoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(3-bromo-4,5-dimethoxy-benzyl)ammonium Formula: C21H31BrNO2+ MolecularWeight: 409.38034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C(=C4)Br)OC)OC

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)[NH2+]CC4=CC(=C(C(=C4)Br)OC)OC

InChI

InChI=1S/C21H30BrNO2/c1-13(21-9-14-4-15(10-21)6-16(5-14)11-21)23-12-17-7-18(22)20(25-3)19(8-17)24-2/h7-8,13-16,23H,4-6,9-12H2,1-3H3/p+1/t13-,14?,15?,16?,21?/m1/s1