2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl]oxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxy-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-[(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexoxy]-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C22H36N3O3+ MolecularWeight: 390.53954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OCC(=O)NCC2=C[NH+]=C(C=C2)N3CCOCC3)C(C)C

InChI

InChI=1S/C22H35N3O3/c1-16(2)19-6-4-17(3)12-20(19)28-15-22(26)24-14-18-5-7-21(23-13-18)25-8-10-27-11-9-25/h5,7,13,16-17,19-20H,4,6,8-12,14-15H2,1-3H3,(H,24,26)/p+1/t17-,19+,20-/m0/s1