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

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]azanium Openeye Name: (4-benzyloxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(4-phenylmethoxyphenyl)methyl]azanium Traditional Name: (4-benzoxybenzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C26H34NO+ MolecularWeight: 376.55426

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)[NH2+]CC4=CC=C(C=C4)OCC5=CC=CC=C5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC=C(C=C4)OCC5=CC=CC=C5)C

InChI

InChI=1S/C26H33NO/c1-24-12-22-13-25(2,17-24)19-26(14-22,18-24)27-15-20-8-10-23(11-9-20)28-16-21-6-4-3-5-7-21/h3-11,22,27H,12-19H2,1-2H3/p+1/t22?,24-,25+,26?