4-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-nitro-benzamide Openeye Name: 4-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-nitro-benzamide CAS Name: 4-[[(2R,6R)-2,6-dimethyl-4-morpholin-4-iumyl]methyl]-3-nitrobenzamide IUPAC Name: 4-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-nitrobenzamide Traditional Name: 4-[[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-nitro-benzamide Formula: C14H20N3O4+ MolecularWeight: 294.3263

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)CC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H19N3O4/c1-9-6-16(7-10(2)21-9)8-12-4-3-11(14(15)18)5-13(12)17(19)20/h3-5,9-10H,6-8H2,1-2H3,(H2,15,18)/p+1/t9-,10-/m1/s1