[(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [(3R,5S)-3,5-dimethyl-1-adamantyl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C22H32N3O+ MolecularWeight: 354.50898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C22H31N3O/c1-20-11-17-12-21(2,14-20)16-22(13-17,15-20)19(26)25-9-7-24(8-10-25)18-5-3-4-6-23-18/h3-6,17H,7-16H2,1-2H3/p+1/t17?,20-,21+,22?