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

Systemtic Name: 2-(1-adamantylsulfanyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-(1-adamantylthio)-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-(1-adamantylthio)-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C23H33N2OS+ MolecularWeight: 385.58592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)NC(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2OS/c26-22(16-27-23-12-18-9-19(13-23)11-20(10-18)14-23)24-21-5-3-17(4-6-21)15-25-7-1-2-8-25/h3-6,18-20H,1-2,7-16H2,(H,24,26)/p+1