(5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-butyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H27N5O2S+2 MolecularWeight: 341.47218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CCCCN1C(=O)[C@@H](C(=O)NC1=S)C=NCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C15H25N5O2S/c1-2-3-7-20-14(22)12(13(21)18-15(20)23)11-17-6-10-19-8-4-16-5-9-19/h11-12,16H,2-10H2,1H3,(H,18,21,23)/p+2/t12-/m1/s1