(5R)-1-[(2R)-butan-2-yl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5R)-1-[(2R)-butan-2-yl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-[(1R)-1-methylpropyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-[(2R)-butan-2-yl]-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-[(2R)-butan-2-yl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-[(1R)-1-methylpropyl]-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H27N4O2S+ MolecularWeight: 339.47618

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C(C(=O)NC1=S)C=NCC[NH+]2CCCCC2

Isomeric SMILES

CC[C@@H](C)N1C(=O)[C@@H](C(=O)NC1=S)C=NCC[NH+]2CCCCC2

InChI

InChI=1S/C16H26N4O2S/c1-3-12(2)20-15(22)13(14(21)18-16(20)23)11-17-7-10-19-8-5-4-6-9-19/h11-13H,3-10H2,1-2H3,(H,18,21,23)/p+1/t12-,13-/m1/s1