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

Systemtic Name: 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]propionate Formula: C13H17N3O6S MolecularWeight: 343.35558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O6S/c17-13(18)4-5-14-6-8-15(9-7-14)23(21,22)12-3-1-2-11(10-12)16(19)20/h1-3,10H,4-9H2,(H,17,18)