(2R)-1-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-3-(3-nitrophenoxy)propan-2-ol

Systemtic Name: (2R)-1-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-3-(3-nitrophenoxy)propan-2-ol Openeye Name: (2R)-1-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-3-(3-nitrophenoxy)propan-2-ol CAS Name: (2R)-1-[(3S)-3-(hydroxymethyl)-1-piperidin-1-iumyl]-3-(3-nitrophenoxy)-2-propanol IUPAC Name: (2R)-1-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]-3-(3-nitrophenoxy)propan-2-ol Traditional Name: (2R)-1-[(3S)-3-methylolpiperidin-1-ium-1-yl]-3-(3-nitrophenoxy)propan-2-ol Formula: C15H23N2O5+ MolecularWeight: 311.35352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C[C@H](COC2=CC=CC(=C2)[N+](=O)[O-])O)CO

InChI

InChI=1S/C15H22N2O5/c18-10-12-3-2-6-16(8-12)9-14(19)11-22-15-5-1-4-13(7-15)17(20)21/h1,4-5,7,12,14,18-19H,2-3,6,8-11H2/p+1/t12-,14+/m0/s1