N-[4-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[4-(4-morpholin-4-iumylmethyl)-2-thiazolyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)-1,3-thiazol-2-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[4-(morpholin-4-ium-4-ylmethyl)thiazol-2-yl]phenyl]adamantane-1-carboxamide Formula: C25H32N3O2S+ MolecularWeight: 438.60548

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1COCC[NH+]1CC2=CSC(=N2)C3=CC=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N3O2S/c29-24(25-12-17-9-18(13-25)11-19(10-17)14-25)27-21-3-1-20(2-4-21)23-26-22(16-31-23)15-28-5-7-30-8-6-28/h1-4,16-19H,5-15H2,(H,27,29)/p+1