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

Systemtic Name: (5S)-1-ethyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-ethyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-ethyl-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-ethyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-ethyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H23N4O2S+ MolecularWeight: 311.42302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CCCCC2

Isomeric SMILES

CCN1C(=O)[C@H](C(=O)NC1=S)C=NCC[NH+]2CCCCC2

InChI

InChI=1S/C14H22N4O2S/c1-2-18-13(20)11(12(19)16-14(18)21)10-15-6-9-17-7-4-3-5-8-17/h10-11H,2-9H2,1H3,(H,16,19,21)/p+1/t11-/m0/s1