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

Systemtic Name: ethyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]sulfonylbenzoic acid ethyl ester Formula: C21H27N2O5S+ MolecularWeight: 419.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H26N2O5S/c1-2-27-21(24)18-8-10-20(11-9-18)29(25,26)23-14-12-22(13-15-23)16-17-28-19-6-4-3-5-7-19/h3-11H,2,12-17H2,1H3/p+1