N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-morpholin-4-ium-4-yl-ethanamide

Systemtic Name: N-[5-(1-adamantyl)-2-bromanyl-phenyl]-2-morpholin-4-ium-4-yl-ethanamide Openeye Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-morpholin-4-ium-4-yl-acetamide CAS Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-(4-morpholin-4-iumyl)acetamide IUPAC Name: N-[5-(1-adamantyl)-2-bromophenyl]-2-morpholin-4-ium-4-ylacetamide Traditional Name: N-[5-(1-adamantyl)-2-bromo-phenyl]-2-morpholin-4-ium-4-yl-acetamide Formula: C22H30BrN2O2+ MolecularWeight: 434.3898

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(=O)NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)Br

Isomeric SMILES

C1COCC[NH+]1CC(=O)NC2=C(C=CC(=C2)C34CC5CC(C3)CC(C5)C4)Br

InChI

InChI=1S/C22H29BrN2O2/c23-19-2-1-18(22-11-15-7-16(12-22)9-17(8-15)13-22)10-20(19)24-21(26)14-25-3-5-27-6-4-25/h1-2,10,15-17H,3-9,11-14H2,(H,24,26)/p+1