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

Systemtic Name: (2S,6S)-2,6-dimethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]morpholin-4-ium Openeye Name: (2S,6S)-2,6-dimethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]morpholin-4-ium CAS Name: (2S,6S)-2,6-dimethyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]morpholin-4-ium IUPAC Name: (2S,6S)-2,6-dimethyl-4-[4-(3-methyl-4-nitrophenoxy)butyl]morpholin-4-ium Traditional Name: (2S,6S)-2,6-dimethyl-4-[4-(3-methyl-4-nitro-phenoxy)butyl]morpholin-4-ium Formula: C17H27N2O4+ MolecularWeight: 323.40728

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH+](CC(O1)C)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

C[C@H]1C[NH+](C[C@@H](O1)C)CCCCOC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C17H26N2O4/c1-13-10-16(6-7-17(13)19(20)21)22-9-5-4-8-18-11-14(2)23-15(3)12-18/h6-7,10,14-15H,4-5,8-9,11-12H2,1-3H3/p+1/t14-,15-/m0/s1