2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C24H35BrN3O+ MolecularWeight: 461.4582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)CC34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C24H34BrN3O/c1-2-27-7-9-28(10-8-27)21-6-4-3-5-20(21)26-22(29)16-23-12-18-11-19(13-23)15-24(25,14-18)17-23/h3-6,18-19H,2,7-17H2,1H3,(H,26,29)/p+1/t18-,19+,23?,24?