N-[1-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide

Systemtic Name: N-[1-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Openeye Name: N-[1-[2-oxo-2-(thiazol-2-ylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide CAS Name: N-[1-[2-oxo-2-(2-thiazolylamino)ethyl]-4-piperidin-1-iumyl]-1-adamantanecarboxamide IUPAC Name: N-[1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Traditional Name: N-[1-[2-keto-2-(thiazol-2-ylamino)ethyl]piperidin-1-ium-4-yl]adamantane-1-carboxamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC(=O)NC5=NC=CS5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C23CC4CC(C2)CC(C4)C3)CC(=O)NC5=NC=CS5

InChI

InChI=1S/C21H30N4O2S/c26-18(24-20-22-3-6-28-20)13-25-4-1-17(2-5-25)23-19(27)21-10-14-7-15(11-21)9-16(8-14)12-21/h3,6,14-17H,1-2,4-5,7-13H2,(H,23,27)(H,22,24,26)/p+1