N-[(2S)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxidanylidene-propan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-methyl-2-[(6-morpholinopyridin-1-ium-3-yl)methylamino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methylamino]-1-oxopropan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methylamino]-1-oxopropan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[(6-morpholinopyridin-1-ium-3-yl)methylamino]ethyl]adamantane-1-carboxamide Formula: C24H35N4O3+ MolecularWeight: 427.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NCC1=C[NH+]=C(C=C1)N2CCOCC2)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C24H34N4O3/c1-16(27-23(30)24-11-18-8-19(12-24)10-20(9-18)13-24)22(29)26-15-17-2-3-21(25-14-17)28-4-6-31-7-5-28/h2-3,14,16,18-20H,4-13,15H2,1H3,(H,26,29)(H,27,30)/p+1/t16-,18?,19?,20?,24?/m0/s1