N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide

Systemtic Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide Openeye Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide CAS Name: N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide Traditional Name: N-[(6-morpholinopyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H29N3O2/c25-20(21-10-16-7-17(11-21)9-18(8-16)12-21)23-14-15-1-2-19(22-13-15)24-3-5-26-6-4-24/h1-2,13,16-18H,3-12,14H2,(H,23,25)/p+1