2-[(2S)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-2-yl]ethanol

Systemtic Name: 2-[(2S)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-2-yl]ethanol Openeye Name: 2-[(2S)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-2-yl]ethanol CAS Name: 2-[(2S)-1-[(3-nitrophenyl)methyl]-2-piperidin-1-iumyl]ethanol IUPAC Name: 2-[(2S)-1-[(3-nitrophenyl)methyl]piperidin-1-ium-2-yl]ethanol Traditional Name: 2-[(2S)-1-(3-nitrobenzyl)piperidin-1-ium-2-yl]ethanol Formula: C14H21N2O3+ MolecularWeight: 265.32814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)CCO)CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+]([C@@H](C1)CCO)CC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N2O3/c17-9-7-13-5-1-2-8-15(13)11-12-4-3-6-14(10-12)16(18)19/h3-4,6,10,13,17H,1-2,5,7-9,11H2/p+1/t13-/m0/s1