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

Systemtic Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromanyl-2-ethoxy-3-methoxy-phenyl)methyl]azanium Openeye Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromo-2-ethoxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-1-(1-adamantyl)ethyl]-[(5-bromo-2-ethoxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(1R)-1-(1-adamantyl)ethyl]-(5-bromo-2-ethoxy-3-methoxy-benzyl)ammonium Formula: C22H33BrNO2+ MolecularWeight: 423.40692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1C[NH2+]C(C)C23CC4CC(C2)CC(C4)C3)Br)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1C[NH2+][C@H](C)C23CC4CC(C2)CC(C4)C3)Br)OC

InChI

InChI=1S/C22H32BrNO2/c1-4-26-21-18(8-19(23)9-20(21)25-3)13-24-14(2)22-10-15-5-16(11-22)7-17(6-15)12-22/h8-9,14-17,24H,4-7,10-13H2,1-3H3/p+1/t14-,15?,16?,17?,22?/m1/s1