2-(1-adamantylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C23H33N2O2S+ MolecularWeight: 401.58532

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O2S/c26-22(16-28-23-12-18-9-19(13-23)11-20(10-18)14-23)24-21-3-1-17(2-4-21)15-25-5-7-27-8-6-25/h1-4,18-20H,5-16H2,(H,24,26)/p+1