(2R)-1-(1-adamantylcarbonyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(1-adamantylcarbonyl)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(adamantane-1-carbonyl)-N-(1-benzylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide CAS Name: (2R)-1-[1-adamantyl(oxo)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(adamantane-1-carbonyl)-N-(1-benzylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2R)-1-(adamantane-1-carbonyl)-N-(1-benzylpiperidin-1-ium-4-yl)pyrrolidine-2-carboxamide Formula: C28H40N3O2+ MolecularWeight: 450.6361

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5CC[NH+](CC5)CC6=CC=CC=C6

Isomeric SMILES

C1C[C@@H](N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NC5CC[NH+](CC5)CC6=CC=CC=C6

InChI

InChI=1S/C28H39N3O2/c32-26(29-24-8-11-30(12-9-24)19-20-5-2-1-3-6-20)25-7-4-10-31(25)27(33)28-16-21-13-22(17-28)15-23(14-21)18-28/h1-3,5-6,21-25H,4,7-19H2,(H,29,32)/p+1/t21?,22?,23?,25-,28?/m1/s1