1,3,6-trimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-pyrimidine-2,4-dione

Systemtic Name: 1,3,6-trimethyl-5-[4-(phenylmethyl)piperazin-4-ium-1-yl]sulfonyl-pyrimidine-2,4-dione Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3,6-trimethyl-pyrimidine-2,4-dione CAS Name: 1,3,6-trimethyl-5-[[4-(phenylmethyl)-1-piperazin-4-iumyl]sulfonyl]pyrimidine-2,4-dione IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3,6-trimethylpyrimidine-2,4-dione Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)sulfonyl-1,3,6-trimethyl-pyrimidine-2,4-quinone Formula: C18H25N4O4S+ MolecularWeight: 393.4805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)N(C(=O)N1C)C)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O4S/c1-14-16(17(23)20(3)18(24)19(14)2)27(25,26)22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,9-13H2,1-3H3/p+1