(2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-3-(4-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-3-(4-nitrophenoxy)propan-2-ol Formula: C16H25N2O4+ MolecularWeight: 309.3807

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CC(COC2=CC=C(C=C2)[N+](=O)[O-])O)C

Isomeric SMILES

C[C@H]1C[C@@H](C[NH+](C1)C[C@H](COC2=CC=C(C=C2)[N+](=O)[O-])O)C

InChI

InChI=1S/C16H24N2O4/c1-12-7-13(2)9-17(8-12)10-15(19)11-22-16-5-3-14(4-6-16)18(20)21/h3-6,12-13,15,19H,7-11H2,1-2H3/p+1/t12-,13-,15+/m0/s1