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

Systemtic Name: methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazin-1-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-ium-1-yl]propionic acid methyl ester Formula: C16H25N2O6S+ MolecularWeight: 373.4445

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6S/c1-22-14-5-4-13(12-15(14)23-2)25(20,21)18-10-8-17(9-11-18)7-6-16(19)24-3/h4-5,12H,6-11H2,1-3H3/p+1