1-(1-adamantylcarbamoyl)pyrrolidin-1-ium-1-carbothioate

Systemtic Name: 1-(1-adamantylcarbamoyl)pyrrolidin-1-ium-1-carbothioate Openeye Name: 1-(1-adamantylcarbamoyl)pyrrolidin-1-ium-1-carbothioate CAS Name: 1-[(1-adamantylamino)-oxomethyl]-1-pyrrolidin-1-iumcarbothioate IUPAC Name: 1-(1-adamantylcarbamoyl)pyrrolidin-1-ium-1-carbothioate Traditional Name: 1-(1-adamantylcarbamoyl)pyrrolidin-1-ium-1-carbothioate Formula: C16H24N2O2S MolecularWeight: 308.43896

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](C1)(C(=O)NC23CC4CC(C2)CC(C4)C3)C(=S)[O-]

Isomeric SMILES

C1CC[N+](C1)(C(=O)NC23CC4CC(C2)CC(C4)C3)C(=S)[O-]

InChI

InChI=1S/C16H24N2O2S/c19-14(18(15(20)21)3-1-2-4-18)17-16-8-11-5-12(9-16)7-13(6-11)10-16/h11-13H,1-10H2,(H-,17,19,20,21)