3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-1-ium-2-amine

Systemtic Name: 3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]pyridin-1-ium-2-amine CAS Name: 3-nitro-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]-2-pyridin-1-iumamine IUPAC Name: 3-nitro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]pyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]amine Formula: C17H22N4O2+2 MolecularWeight: 314.38218

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC2=C(C=CC=[NH+]2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2/c22-21(23)15-9-6-10-18-17(15)19-13-16(20-11-4-5-12-20)14-7-2-1-3-8-14/h1-3,6-10,16H,4-5,11-13H2,(H,18,19)/p+2/t16-/m0/s1