(2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionitrile Formula: C13H17N4O2+ MolecularWeight: 261.29968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)[NH+]1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2/c1-11(10-14)15-6-8-16(9-7-15)12-2-4-13(5-3-12)17(18)19/h2-5,11H,6-9H2,1H3/p+1/t11-/m1/s1