4-piperazin-4-ium-1-ylsulfonylbenzoic acid chloride

Systemtic Name: 4-piperazin-4-ium-1-ylsulfonylbenzoic acid chloride Openeye Name: 4-piperazin-4-ium-1-ylsulfonylbenzoic acid chloride CAS Name: 4-(1-piperazin-4-iumylsulfonyl)benzoic acid chloride IUPAC Name: 4-piperazin-4-ium-1-ylsulfonylbenzoic acid chloride Traditional Name: 4-piperazin-4-ium-1-ylsulfonylbenzoic acid chloride Formula: C11H15ClN2O4S MolecularWeight: 306.7658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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