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

Systemtic Name: 4-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[4-(2,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-[4-(2,4-dimethylphenyl)sulfonylpiperazino]-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H27N4O4S+ MolecularWeight: 395.49638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C[NH+]3CCNC(=O)C3)C

InChI

InChI=1S/C18H26N4O4S/c1-14-3-4-16(15(2)11-14)27(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