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

Systemtic Name: (5R)-1-(4-chlorophenyl)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-1-(4-chlorophenyl)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(4-chlorophenyl)-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(4-chlorophenyl)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-1-(4-chlorophenyl)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C17H20ClN4O3S+ MolecularWeight: 395.8837

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCN=CC2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1COCC[NH+]1CCN=C[C@@H]2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H19ClN4O3S/c18-12-1-3-13(4-2-12)22-16(24)14(15(23)20-17(22)26)11-19-5-6-21-7-9-25-10-8-21/h1-4,11,14H,5-10H2,(H,20,23,26)/p+1/t14-/m1/s1