(2R,6R)-2,6-dimethyl-4-[(3R)-2,2,4-trimethyl-7-nitro-3H-1-benzofuran-3-yl]morpholin-4-ium

Systemtic Name: (2R,6R)-2,6-dimethyl-4-[(3R)-2,2,4-trimethyl-7-nitro-3H-1-benzofuran-3-yl]morpholin-4-ium Openeye Name: (2R,6R)-2,6-dimethyl-4-[(3R)-2,2,4-trimethyl-7-nitro-3H-benzofuran-3-yl]morpholin-4-ium CAS Name: (2R,6R)-2,6-dimethyl-4-[(3R)-2,2,4-trimethyl-7-nitro-3H-benzofuran-3-yl]morpholin-4-ium IUPAC Name: (2R,6R)-2,6-dimethyl-4-[(3R)-2,2,4-trimethyl-7-nitro-3H-1-benzofuran-3-yl]morpholin-4-ium Traditional Name: (2R,6R)-2,6-dimethyl-4-[(3R)-2,2,4-trimethyl-7-nitro-coumaran-3-yl]morpholin-4-ium Formula: C17H25N2O4+ MolecularWeight: 321.3914

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)C2C3=C(C=CC(=C3OC2(C)C)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[NH+](C[C@H](O1)C)[C@@H]2C3=C(C=CC(=C3OC2(C)C)[N+](=O)[O-])C

InChI

InChI=1S/C17H24N2O4/c1-10-6-7-13(19(20)21)15-14(10)16(17(4,5)23-15)18-8-11(2)22-12(3)9-18/h6-7,11-12,16H,8-9H2,1-5H3/p+1/t11-,12-,16-/m1/s1