1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-pyrimidine-2,4-dione

Systemtic Name: 1,3-dimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 1,3-dimethyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]pyrimidine-2,4-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3-dimethyl-pyrimidine-2,4-quinone Formula: C17H23N4O4S+ MolecularWeight: 379.45392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C(=O)N(C1=O)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O4S/c1-18-13-15(16(22)19(2)17(18)23)26(24,25)21-10-8-20(9-11-21)12-14-6-4-3-5-7-14/h3-7,13H,8-12H2,1-2H3/p+1