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

Systemtic Name: (5R)-1-methyl-3-phenyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-methyl-3-phenyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-methyl-3-phenyl-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-methyl-3-phenyl-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-methyl-3-phenyl-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:

CN1C(=O)C(C(=O)N(C1=S)C2=CC=CC=C2)C=NCC[NH+]3CCCCC3

Isomeric SMILES

CN1C(=O)[C@H](C(=O)N(C1=S)C2=CC=CC=C2)C=NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O2S/c1-21-17(24)16(14-20-10-13-22-11-6-3-7-12-22)18(25)23(19(21)26)15-8-4-2-5-9-15/h2,4-5,8-9,14,16H,3,6-7,10-13H2,1H3/p+1/t16-/m1/s1