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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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