3-morpholin-4-ium-4-ylpropyl-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: 3-morpholin-4-ium-4-ylpropyl-[(2S)-3-(3-nitrophenoxy)-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium CAS Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-[3-(4-morpholin-4-iumyl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-(3-morpholin-4-ium-4-ylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-3-(3-nitrophenoxy)propyl]-(3-morpholin-4-ium-4-ylpropyl)ammonium Formula: C16H27N3O5+2 MolecularWeight: 341.40268

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCC[NH2+]CC(COC2=CC=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1COCC[NH+]1CCC[NH2+]C[C@@H](COC2=CC=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H25N3O5/c20-15(12-17-5-2-6-18-7-9-23-10-8-18)13-24-16-4-1-3-14(11-16)19(21)22/h1,3-4,11,15,17,20H,2,5-10,12-13H2/p+2/t15-/m0/s1