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

Systemtic Name: (5S)-1-(3-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(3-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(3-chlorophenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(3-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(3-chlorophenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H22ClN4O2S+ MolecularWeight: 393.91088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN=CC2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC[NH+](CC1)CCN=C[C@H]2C(=O)NC(=S)N(C2=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H21ClN4O2S/c19-13-5-4-6-14(11-13)23-17(25)15(16(24)21-18(23)26)12-20-7-10-22-8-2-1-3-9-22/h4-6,11-12,15H,1-3,7-10H2,(H,21,24,26)/p+1/t15-/m0/s1