4-methoxy-N-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-4-methoxy-3-nitro-benzamide Formula: C15H22N3O6+ MolecularWeight: 340.35168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C[NH+]2CCOCC2)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H](C[NH+]2CCOCC2)O)[N+](=O)[O-]

InChI

InChI=1S/C15H21N3O6/c1-23-14-3-2-11(8-13(14)18(21)22)15(20)16-9-12(19)10-17-4-6-24-7-5-17/h2-3,8,12,19H,4-7,9-10H2,1H3,(H,16,20)/p+1/t12-/m1/s1