4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-methyl-N-(4-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-methyl-N-(4-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C12H17N4O3+ MolecularWeight: 265.28838

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O3/c1-14-6-8-15(9-7-14)12(17)13-10-2-4-11(5-3-10)16(18)19/h2-5H,6-9H2,1H3,(H,13,17)/p+1