methyl 2-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]ethanoate

Systemtic Name: methyl 2-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]ethanoate Openeye Name: methyl 2-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]acetate CAS Name: 2-[4-[(4-ethyl-1-piperazin-4-iumyl)sulfonyl]-2-methylphenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methylphenoxy]acetate Traditional Name: 2-[4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2-methyl-phenoxy]acetic acid methyl ester Formula: C16H25N2O5S+ MolecularWeight: 357.4451

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)OC)C

InChI

InChI=1S/C16H24N2O5S/c1-4-17-7-9-18(10-8-17)24(20,21)14-5-6-15(13(2)11-14)23-12-16(19)22-3/h5-6,11H,4,7-10,12H2,1-3H3/p+1