[(3S,5R)-3,5-dimethyl-1-adamantyl]-[(2-ethoxy-3-methoxy-phenyl)methyl]azanium

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(2-ethoxy-3-methoxy-phenyl)methyl]azanium Openeye Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(2-ethoxy-3-methoxy-phenyl)methyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(2-ethoxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(2-ethoxy-3-methoxyphenyl)methyl]azanium Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(2-ethoxy-3-methoxy-benzyl)ammonium Formula: C22H34NO2+ MolecularWeight: 344.51086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1OC)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C

Isomeric SMILES

CCOC1=C(C=CC=C1OC)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C

InChI

InChI=1S/C22H33NO2/c1-5-25-19-17(7-6-8-18(19)24-4)12-23-22-11-16-9-20(2,14-22)13-21(3,10-16)15-22/h6-8,16,23H,5,9-15H2,1-4H3/p+1/t16?,20-,21+,22?