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

Systemtic Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-[(2S,6R)-2,6-dimethyl-4-morpholin-4-iumyl]-2-methylpropyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methylpropyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H28N3O4S+ MolecularWeight: 382.49762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4S/c1-12-9-20(10-13(2)25-12)18(3,4)11-19-17(22)14-6-7-16(26-5)15(8-14)21(23)24/h6-8,12-13H,9-11H2,1-5H3,(H,19,22)/p+1/t12-,13+