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

Systemtic Name: (5-chloranyl-2-phenylmethoxy-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Openeye Name: (2-benzyloxy-5-chloro-phenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium CAS Name: (5-chloro-2-phenylmethoxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium IUPAC Name: (5-chloro-2-phenylmethoxyphenyl)methyl-[(3R,5S)-3,5-dimethyl-1-adamantyl]azanium Traditional Name: (2-benzoxy-5-chloro-benzyl)-[(3R,5S)-3,5-dimethyl-1-adamantyl]ammonium Formula: C26H33ClNO+ MolecularWeight: 410.99932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32ClNO/c1-24-11-20-12-25(2,16-24)18-26(13-20,17-24)28-14-21-10-22(27)8-9-23(21)29-15-19-6-4-3-5-7-19/h3-10,20,28H,11-18H2,1-2H3/p+1/t20?,24-,25+,26?