(phenylmethyl) 4-sulfonylpiperazin-4-ium-1-carboxylate chloride

Systemtic Name: (phenylmethyl) 4-sulfonylpiperazin-4-ium-1-carboxylate chloride Openeye Name: benzyl 4-sulfonylpiperazin-4-ium-1-carboxylate chloride CAS Name: 4-sulfonyl-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester chloride IUPAC Name: benzyl 4-sulfonylpiperazin-4-ium-1-carboxylate chloride Traditional Name: 4-sulfonylpiperazin-4-ium-1-carboxylic acid benzyl ester chloride Formula: C12H15ClN2O4S MolecularWeight: 318.7765

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=S(=O)=O)CCN1C(=O)OCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1C[N+](=S(=O)=O)CCN1C(=O)OCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C12H15N2O4S.ClH/c15-12(18-10-11-4-2-1-3-5-11)13-6-8-14(9-7-13)19(16)17;/h1-5H,6-10H2;1H/q+1;/p-1