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

Systemtic Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-hydroxyethyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C15H23N2O5S+ MolecularWeight: 343.41852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O5S/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/p+1