diethyl-[(2R)-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)-2-oxidanyl-propyl]azanium

Systemtic Name: diethyl-[(2R)-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)-2-oxidanyl-propyl]azanium Openeye Name: diethyl-[(2R)-2-hydroxy-3-(5-nitro-2-pyrrolidin-1-yl-phenoxy)propyl]ammonium CAS Name: diethyl-[(2R)-2-hydroxy-3-[5-nitro-2-(1-pyrrolidinyl)phenoxy]propyl]ammonium IUPAC Name: diethyl-[(2R)-2-hydroxy-3-(5-nitro-2-pyrrolidin-1-ylphenoxy)propyl]azanium Traditional Name: diethyl-[(2R)-2-hydroxy-3-(5-nitro-2-pyrrolidino-phenoxy)propyl]ammonium Formula: C17H28N3O4+ MolecularWeight: 338.42192

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)O

Isomeric SMILES

CC[NH+](CC)C[C@H](COC1=C(C=CC(=C1)[N+](=O)[O-])N2CCCC2)O

InChI

InChI=1S/C17H27N3O4/c1-3-18(4-2)12-15(21)13-24-17-11-14(20(22)23)7-8-16(17)19-9-5-6-10-19/h7-8,11,15,21H,3-6,9-10,12-13H2,1-2H3/p+1/t15-/m1/s1