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

Systemtic Name: 3-[[(3S)-3-morpholin-4-ylcarbonylpiperidin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[[(3S)-3-[4-morpholinyl(oxo)methyl]-1-piperidin-1-iumyl]methyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[[(3S)-3-(morpholine-4-carbonyl)piperidin-1-ium-1-yl]methyl]-5-nitro-1,3-benzoxazol-2-one Formula: C18H23N4O6+ MolecularWeight: 391.39842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6/c23-17(20-6-8-27-9-7-20)13-2-1-5-19(11-13)12-21-15-10-14(22(25)26)3-4-16(15)28-18(21)24/h3-4,10,13H,1-2,5-9,11-12H2/p+1/t13-/m0/s1