5-chloranyl-3-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-chloranyl-3-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 5-chloro-3-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 5-chloro-3-[[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 5-chloro-3-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 5-chloro-3-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C18H23ClN3O4+ MolecularWeight: 380.84592

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CN2C3=C(C=CC(=C3)Cl)OC2=O)C(=O)N4CCOCC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CN2C3=C(C=CC(=C3)Cl)OC2=O)C(=O)N4CCOCC4

InChI

InChI=1S/C18H22ClN3O4/c19-14-3-4-16-15(10-14)22(18(24)26-16)12-20-5-1-2-13(11-20)17(23)21-6-8-25-9-7-21/h3-4,10,13H,1-2,5-9,11-12H2/p+1/t13-/m0/s1