4-[(1S,2R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-oxidanyl-propyl]phenol

Systemtic Name: 4-[(1S,2R)-2-[(3-nitropyridin-1-ium-2-yl)amino]-1-oxidanyl-propyl]phenol Openeye Name: 4-[(1S,2R)-1-hydroxy-2-[(3-nitropyridin-1-ium-2-yl)amino]propyl]phenol CAS Name: 4-[(1S,2R)-1-hydroxy-2-[(3-nitro-2-pyridin-1-iumyl)amino]propyl]phenol IUPAC Name: 4-[(1S,2R)-1-hydroxy-2-[(3-nitropyridin-1-ium-2-yl)amino]propyl]phenol Traditional Name: 4-[(1S,2R)-1-hydroxy-2-[(3-nitropyridin-1-ium-2-yl)amino]propyl]phenol Formula: C14H16N3O4+ MolecularWeight: 290.29454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)O)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=C(C=C1)O)O)NC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-9(13(19)10-4-6-11(18)7-5-10)16-14-12(17(20)21)3-2-8-15-14/h2-9,13,18-19H,1H3,(H,15,16)/p+1/t9-,13-/m1/s1