[(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]azanium Openeye Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-methoxy-phenyl)methyl]ammonium CAS Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-methoxyphenyl)methyl]ammonium IUPAC Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-[(3-ethoxy-4-methoxyphenyl)methyl]azanium Traditional Name: [(3S,5R)-3,5-dimethyl-1-adamantyl]-(3-ethoxy-4-methoxy-benzyl)ammonium Formula: C22H34NO2+ MolecularWeight: 344.51086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4CC(C2)(CC(C4)(C3)C)C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]C23CC4C[C@@](C2)(C[C@](C4)(C3)C)C)OC

InChI

InChI=1S/C22H33NO2/c1-5-25-19-8-16(6-7-18(19)24-4)12-23-22-11-17-9-20(2,14-22)13-21(3,10-17)15-22/h6-8,17,23H,5,9-15H2,1-4H3/p+1/t17?,20-,21+,22?