4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-ethyl-N-(3-nitrophenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-ethyl-N-(3-nitrophenyl)piperazin-4-ium-1-carboxamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3/c1-2-15-6-8-16(9-7-15)13(18)14-11-4-3-5-12(10-11)17(19)20/h3-5,10H,2,6-9H2,1H3,(H,14,18)/p+1