ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate chloride

Systemtic Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate chloride Openeye Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate chloride CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester chloride IUPAC Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate chloride Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester chloride Formula: C15H23ClN2O5S MolecularWeight: 378.87152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCO.[Cl-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCO.[Cl-]

InChI

InChI=1S/C15H22N2O5S.ClH/c1-2-22-15(19)13-3-5-14(6-4-13)23(20,21)17-9-7-16(8-10-17)11-12-18;/h3-6,18H,2,7-12H2,1H3;1H