2-[4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[(5S,7R)-3-bromoadamantane-1-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[(5S,7R)-3-bromo-1-adamantyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[(5S,7R)-3-bromoadamantane-1-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[(5S,7R)-3-bromoadamantane-1-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C21H33BrN3O2+ MolecularWeight: 439.40962

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C21H32BrN3O2/c22-21-12-16-9-17(13-21)11-20(10-16,15-21)19(27)25-7-5-23(6-8-25)14-18(26)24-3-1-2-4-24/h16-17H,1-15H2/p+1/t16-,17+,20?,21?