3-piperazin-4-ium-1-ylsulfonylbenzoate

Systemtic Name: 3-piperazin-4-ium-1-ylsulfonylbenzoate Openeye Name: 3-piperazin-4-ium-1-ylsulfonylbenzoate CAS Name: 3-(1-piperazin-4-iumylsulfonyl)benzoate IUPAC Name: 3-piperazin-4-ium-1-ylsulfonylbenzoate Traditional Name: 3-piperazin-4-ium-1-ylsulfonylbenzoate Formula: C11H14N2O4S MolecularWeight: 270.30486

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C11H14N2O4S/c14-11(15)9-2-1-3-10(8-9)18(16,17)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2,(H,14,15)