4-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-oxidanylidene-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-oxo-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-keto-2-(4-mesitylsulfonylpiperazino)ethyl]piperazin-4-ium-2-one Formula: C19H29N4O4S+ MolecularWeight: 409.52296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N4O4S/c1-14-10-15(2)19(16(3)11-14)28(26,27)23-8-6-22(7-9-23)18(25)13-21-5-4-20-17(24)12-21/h10-11H,4-9,12-13H2,1-3H3,(H,20,24)/p+1