(3S)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]oxolan-2-one

Systemtic Name: (3S)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C14H18N3O4+ MolecularWeight: 292.31042

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1COC(=O)[C@H]1[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O4/c18-14-13(5-10-21-14)16-8-6-15(7-9-16)11-3-1-2-4-12(11)17(19)20/h1-4,13H,5-10H2/p+1/t13-/m0/s1