(3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-dimethyl-3-morpholin-4-yl-propyl)piperidin-1-ium-3-ol

Systemtic Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-dimethyl-3-morpholin-4-yl-propyl)piperidin-1-ium-3-ol Openeye Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-dimethyl-3-morpholino-propyl)piperidin-1-ium-3-ol CAS Name: (3R,4R)-4-(1-azepan-1-iumyl)-1-[2,2-dimethyl-3-(4-morpholinyl)propyl]-3-piperidin-1-iumol IUPAC Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-dimethyl-3-morpholin-4-ylpropyl)piperidin-1-ium-3-ol Traditional Name: (3R,4R)-4-(azepan-1-ium-1-yl)-1-(2,2-dimethyl-3-morpholino-propyl)piperidin-1-ium-3-ol Formula: C20H41N3O2+2 MolecularWeight: 355.55844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C[NH+]1CCC(C(C1)O)[NH+]2CCCCCC2)CN3CCOCC3

Isomeric SMILES

CC(C)(C[NH+]1CC[C@H]([C@@H](C1)O)[NH+]2CCCCCC2)CN3CCOCC3

InChI

InChI=1S/C20H39N3O2/c1-20(2,16-21-11-13-25-14-12-21)17-22-10-7-18(19(24)15-22)23-8-5-3-4-6-9-23/h18-19,24H,3-17H2,1-2H3/p+2/t18-,19-/m1/s1