(2S,6S)-2,6-dimethyl-4-[2-(4-methyl-2-nitro-phenoxy)ethyl]morpholin-4-ium

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methyl-2-nitro-phenoxy)ethyl]morpholin-4-ium Openeye Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methyl-2-nitro-phenoxy)ethyl]morpholin-4-ium CAS Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methyl-2-nitrophenoxy)ethyl]morpholin-4-ium IUPAC Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methyl-2-nitrophenoxy)ethyl]morpholin-4-ium Traditional Name: (2S,6S)-2,6-dimethyl-4-[2-(4-methyl-2-nitro-phenoxy)ethyl]morpholin-4-ium Formula: C15H23N2O4+ MolecularWeight: 295.35412

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCOC2=C(C=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCOC2=C(C=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C15H22N2O4/c1-11-4-5-15(14(8-11)17(18)19)20-7-6-16-9-12(2)21-13(3)10-16/h4-5,8,12-13H,6-7,9-10H2,1-3H3/p+1/t12-,13-/m0/s1