(2S,6S)-2,6-dimethyl-4-[3-(3-methyl-4-nitro-phenoxy)propyl]morpholin-4-ium

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[3-(3-methyl-4-nitro-phenoxy)propyl]morpholin-4-ium Openeye Name: (2S,6S)-2,6-dimethyl-4-[3-(3-methyl-4-nitro-phenoxy)propyl]morpholin-4-ium CAS Name: (2S,6S)-2,6-dimethyl-4-[3-(3-methyl-4-nitrophenoxy)propyl]morpholin-4-ium IUPAC Name: (2S,6S)-2,6-dimethyl-4-[3-(3-methyl-4-nitrophenoxy)propyl]morpholin-4-ium Traditional Name: (2S,6S)-2,6-dimethyl-4-[3-(3-methyl-4-nitro-phenoxy)propyl]morpholin-4-ium Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H24N2O4/c1-12-9-15(5-6-16(12)18(19)20)21-8-4-7-17-10-13(2)22-14(3)11-17/h5-6,9,13-14H,4,7-8,10-11H2,1-3H3/p+1/t13-,14-/m0/s1