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

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-phenylmethoxyphenyl)methyl]azanium Openeye Name: (2-benzyloxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-phenylmethoxyphenyl)methyl]ammonium IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[(2-phenylmethoxyphenyl)methyl]azanium Traditional Name: (2-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=CC=C4OCC5=CC=CC=C5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)[NH2+]CC4=CC=CC=C4OCC5=CC=CC=C5)C

InChI

InChI=1S/C26H33NO/c1-24-12-21-13-25(2,17-24)19-26(14-21,18-24)27-15-22-10-6-7-11-23(22)28-16-20-8-4-3-5-9-20/h3-11,21,27H,12-19H2,1-2H3/p+1/t21?,24-,25+,26?