N-[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(1R)-1-(3-fluoranyl-4-methoxy-phenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(1R)-1-(3-fluoro-4-methoxy-phenyl)ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C14H15FN3O3+ MolecularWeight: 292.285603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14FN3O3/c1-9(10-5-6-13(21-2)11(15)8-10)17-14-12(18(19)20)4-3-7-16-14/h3-9H,1-2H3,(H,16,17)/p+1/t9-/m1/s1