methyl 2-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenoxy]ethanoate

Systemtic Name: methyl 2-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonylphenoxy]ethanoate Openeye Name: methyl 2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate CAS Name: 2-[4-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetate Traditional Name: 2-[4-(4-benzylpiperazin-4-ium-1-yl)sulfonylphenoxy]acetic acid methyl ester Formula: C20H25N2O5S+ MolecularWeight: 405.4879

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O5S/c1-26-20(23)16-27-18-7-9-19(10-8-18)28(24,25)22-13-11-21(12-14-22)15-17-5-3-2-4-6-17/h2-10H,11-16H2,1H3/p+1