1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione

Systemtic Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione Openeye Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-dione CAS Name: 1-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione IUPAC Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-4-methylpiperidine-2,6-dione Traditional Name: 1-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-4-ethyl-4-methyl-piperidine-2,6-quinone Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C

Isomeric SMILES

CCC1(CC(=O)N(C(=O)C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=C(C=CC(=C3)C)C)C

InChI

InChI=1S/C21H31N3O4S/c1-5-21(4)13-19(25)24(20(26)14-21)15-22-8-10-23(11-9-22)29(27,28)18-12-16(2)6-7-17(18)3/h6-7,12H,5,8-11,13-15H2,1-4H3/p+1