2-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]ethanesulfonate Openeye Name: 2-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]ethanesulfonate CAS Name: 2-[4-(2-chloroethyl)-1-piperazine-1,4-diiumyl]ethanesulfonate IUPAC Name: 2-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]ethanesulfonate Traditional Name: 2-[4-(2-chloroethyl)piperazine-1,4-diium-1-yl]ethanesulfonate Formula: C8H18ClN2O3S+ MolecularWeight: 257.75812

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCS(=O)(=O)[O-])CCCl

Isomeric SMILES

C1C[NH+](CC[NH+]1CCS(=O)(=O)[O-])CCCl

InChI

InChI=1S/C8H17ClN2O3S/c9-1-2-10-3-5-11(6-4-10)7-8-15(12,13)14/h1-8H2,(H,12,13,14)/p+1