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

Systemtic Name: ethyl 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-methoxyethyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-methoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C16H25N2O5S+ MolecularWeight: 357.4451

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5S/c1-3-23-16(19)14-4-6-15(7-5-14)24(20,21)18-10-8-17(9-11-18)12-13-22-2/h4-7H,3,8-13H2,1-2H3/p+1