1-(2-chlorophenyl)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CC[NH+](CC1)CCNC=C2C(=O)NC(=S)N(C2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C18H21ClN4O2S/c19-14-6-2-3-7-15(14)23-17(25)13(16(24)21-18(23)26)12-20-8-11-22-9-4-1-5-10-22/h2-3,6-7,12,20H,1,4-5,8-11H2,(H,21,24,26)/p+1