(5S)-1-methyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-methyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-methyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-methyl-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-methyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-methyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C13H21N4O2S+ MolecularWeight: 297.39644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CCCCC2

Isomeric SMILES

CN1C(=O)[C@H](C(=O)NC1=S)C=NCC[NH+]2CCCCC2

InChI

InChI=1S/C13H20N4O2S/c1-16-12(19)10(11(18)15-13(16)20)9-14-5-8-17-6-3-2-4-7-17/h9-10H,2-8H2,1H3,(H,15,18,20)/p+1/t10-/m0/s1