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

Systemtic Name: (5R)-1-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(4-methylphenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(4-methylphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1-(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)[C@@H](C(=O)NC2=S)C=NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O2S/c1-14-5-7-15(8-6-14)23-18(25)16(17(24)21-19(23)26)13-20-9-12-22-10-3-2-4-11-22/h5-8,13,16H,2-4,9-12H2,1H3,(H,21,24,26)/p+1/t16-/m1/s1