(3R,5S)-3,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide

Systemtic Name: (3R,5S)-3,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide Openeye Name: (3R,5S)-3,5-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide CAS Name: (3R,5S)-3,5-dimethyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1-adamantanecarboxamide IUPAC Name: (3R,5S)-3,5-dimethyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide Traditional Name: (3R,5S)-3,5-dimethyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]adamantane-1-carboxamide Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)(CC(C3)(C2)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5)C

Isomeric SMILES

C[C@@]12CC3C[C@@](C1)(CC(C3)(C2)C(=O)NCC4=C[NH+]=C(C=C4)N5CCOCC5)C

InChI

InChI=1S/C23H33N3O2/c1-21-9-18-10-22(2,14-21)16-23(11-18,15-21)20(27)25-13-17-3-4-19(24-12-17)26-5-7-28-8-6-26/h3-4,12,18H,5-11,13-16H2,1-2H3,(H,25,27)/p+1/t18?,21-,22+,23?