4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H27N4O6S+ MolecularWeight: 427.49518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3)OC

InChI

InChI=1S/C18H26N4O6S/c1-27-15-4-3-14(11-16(15)28-2)29(25,26)22-9-7-21(8-10-22)18(24)13-20-6-5-19-17(23)12-20/h3-4,11H,5-10,12-13H2,1-2H3,(H,19,23)/p+1