3-morpholin-4-ylpropyl-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium

Systemtic Name: 3-morpholin-4-ylpropyl-[(2S)-2-(4-nitrophenyl)-2-oxidanyl-ethyl]azanium Openeye Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-(3-morpholinopropyl)ammonium CAS Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-[3-(4-morpholinyl)propyl]ammonium IUPAC Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-(3-morpholin-4-ylpropyl)azanium Traditional Name: [(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-(3-morpholinopropyl)ammonium Formula: C15H24N3O4+ MolecularWeight: 310.36876

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC[NH2+]CC(C2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1COCCN1CCC[NH2+]C[C@H](C2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C15H23N3O4/c19-15(13-2-4-14(5-3-13)18(20)21)12-16-6-1-7-17-8-10-22-11-9-17/h2-5,15-16,19H,1,6-12H2/p+1/t15-/m1/s1