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

Systemtic Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-nitrophenyl)-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]propionate Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4/c17-13(18)5-6-14-7-9-15(10-8-14)11-1-3-12(4-2-11)16(19)20/h1-4H,5-10H2,(H,17,18)