N-(1-adamantylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CS5

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3)C5=CC=CS5

InChI

InChI=1S/C21H29N3O2S/c25-19(13-24-5-1-3-17(24)18-4-2-6-27-18)22-20(26)23-21-10-14-7-15(11-21)9-16(8-14)12-21/h2,4,6,14-17H,1,3,5,7-13H2,(H2,22,23,25,26)/p+1/t14?,15?,16?,17-,21?/m1/s1