3-nitro-N-[(1R)-1-phenylethyl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[(1R)-1-phenylethyl]pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[(1R)-1-phenylethyl]pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[(1R)-1-phenylethyl]-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-[(1R)-1-phenylethyl]pyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[(1R)-1-phenylethyl]amine Formula: C13H14N3O2+ MolecularWeight: 244.26916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O2/c1-10(11-6-3-2-4-7-11)15-13-12(16(17)18)8-5-9-14-13/h2-10H,1H3,(H,14,15)/p+1/t10-/m1/s1