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

Systemtic Name: 1-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-phenyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-phenyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N4O2S+ MolecularWeight: 359.46582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O2S/c23-16-15(13-19-9-12-21-10-5-2-6-11-21)17(24)22(18(25)20-16)14-7-3-1-4-8-14/h1,3-4,7-8,13,19H,2,5-6,9-12H2,(H,20,23,25)/p+1