(2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(5-chloranyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(2-adamantyl)-1-piperazin-1-iumyl]-2-(5-chloro-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-adamantyl)piperazin-1-ium-1-yl]-2-(5-chloro-1H-indol-3-yl)acetate Formula: C24H30ClN3O2 MolecularWeight: 427.9669

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C4C5CC6CC(C5)CC4C6

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)Cl)C(=O)[O-])C4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C24H30ClN3O2/c25-18-1-2-21-19(12-18)20(13-26-21)23(24(29)30)28-5-3-27(4-6-28)22-16-8-14-7-15(10-16)11-17(22)9-14/h1-2,12-17,22-23,26H,3-11H2,(H,29,30)/t14?,15?,16?,17?,22?,23-/m1/s1