(2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-(4-nitrophenoxy)-3-(1-pyrrolidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-(4-nitrophenoxy)-3-pyrrolidin-1-ium-1-yl-propan-2-ol Formula: C13H19N2O4+ MolecularWeight: 267.30096

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CC[NH+](C1)C[C@@H](COC2=CC=C(C=C2)[N+](=O)[O-])O

InChI

InChI=1S/C13H18N2O4/c16-12(9-14-7-1-2-8-14)10-19-13-5-3-11(4-6-13)15(17)18/h3-6,12,16H,1-2,7-10H2/p+1/t12-/m0/s1