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

Systemtic Name: 2-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: 2-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: 2-methyl-2-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 2-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: 2-methyl-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionitrile Formula: C14H19N4O2+ MolecularWeight: 275.32626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-14(2,11-15)17-9-7-16(8-10-17)12-3-5-13(6-4-12)18(19)20/h3-6H,7-10H2,1-2H3/p+1