5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione

Systemtic Name: 5-[4-(diphenylmethyl)piperazin-4-ium-1-yl]sulfonyl-1H-pyrimidine-2,4-dione Openeye Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrimidine-2,4-dione CAS Name: 5-[[4-(diphenylmethyl)-1-piperazin-4-iumyl]sulfonyl]-1H-pyrimidine-2,4-dione IUPAC Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyl-1H-pyrimidine-2,4-dione Traditional Name: 5-(4-benzhydrylpiperazin-4-ium-1-yl)sulfonyluracil Formula: C21H23N4O4S+ MolecularWeight: 427.49672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CNC(=O)NC4=O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CNC(=O)NC4=O

InChI

InChI=1S/C21H22N4O4S/c26-20-18(15-22-21(27)23-20)30(28,29)25-13-11-24(12-14-25)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,15,19H,11-14H2,(H2,22,23,26,27)/p+1