methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(4-methoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionic acid methyl ester Formula: C15H23N2O5S+ MolecularWeight: 343.41852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CCC(=O)OC

InChI

InChI=1S/C15H22N2O5S/c1-21-13-3-5-14(6-4-13)23(19,20)17-11-9-16(10-12-17)8-7-15(18)22-2/h3-6H,7-12H2,1-2H3/p+1