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

Systemtic Name: (2S)-1-(azocan-1-ium-1-yl)-3-(3-nitrophenoxy)propan-2-ol Openeye Name: (2S)-1-(azocan-1-ium-1-yl)-3-(3-nitrophenoxy)propan-2-ol CAS Name: (2S)-1-(1-azocan-1-iumyl)-3-(3-nitrophenoxy)-2-propanol IUPAC Name: (2S)-1-(azocan-1-ium-1-yl)-3-(3-nitrophenoxy)propan-2-ol Traditional Name: (2S)-1-(azocan-1-ium-1-yl)-3-(3-nitrophenoxy)propan-2-ol Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC(COC2=CC=CC(=C2)[N+](=O)[O-])O

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@@H](COC2=CC=CC(=C2)[N+](=O)[O-])O

InChI

InChI=1S/C16H24N2O4/c19-15(12-17-9-4-2-1-3-5-10-17)13-22-16-8-6-7-14(11-16)18(20)21/h6-8,11,15,19H,1-5,9-10,12-13H2/p+1/t15-/m0/s1