3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Openeye Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide CAS Name: 3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propanamide Traditional Name: 3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]propionamide Formula: C13H19N4O3+ MolecularWeight: 279.31496

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)N)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)N)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O3/c14-13(18)5-6-15-7-9-16(10-8-15)11-3-1-2-4-12(11)17(19)20/h1-4H,5-10H2,(H2,14,18)/p+1