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

Systemtic Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[(2S,6S)-2,6-dimethyl-4-morpholin-4-iumyl]-2-methylpropyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methylpropyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-2-methyl-propyl]-3-methyl-4-nitro-benzamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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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)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O4/c1-12-8-15(6-7-16(12)21(23)24)17(22)19-11-18(4,5)20-9-13(2)25-14(3)10-20/h6-8,13-14H,9-11H2,1-5H3,(H,19,22)/p+1/t13-,14-/m0/s1