2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[(5S,7R)-3-bromanyl-1-adamantyl]-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]ethanamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-2-[(5S,7R)-3-bromo-1-adamantyl]acetamide Formula: C23H32BrN2O+ MolecularWeight: 432.41698

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CC23CC4CC(C2)CC(C4)(C3)Br)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)Br)CC5=CC=CC=C5

InChI

InChI=1S/C23H31BrN2O/c24-23-11-18-8-19(12-23)10-22(9-18,16-23)13-21(27)25-20-6-7-26(15-20)14-17-4-2-1-3-5-17/h1-5,18-20H,6-16H2,(H,25,27)/p+1/t18-,19+,20-,22?,23?/m1/s1