(5R)-5-[2-(azepan-1-ium-1-yl)ethyliminomethyl]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CCCCCC2

Isomeric SMILES

CN1C(=O)[C@@H](C(=O)NC1=S)C=NCC[NH+]2CCCCCC2

InChI

InChI=1S/C14H22N4O2S/c1-17-13(20)11(12(19)16-14(17)21)10-15-6-9-18-7-4-2-3-5-8-18/h10-11H,2-9H2,1H3,(H,16,19,21)/p+1/t11-/m1/s1