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

Systemtic Name: (5E)-1-phenyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-phenyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-phenyl-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-phenyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-phenyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CC[NH+](CC1)CCCN/C=C/2\C(=O)NC(=S)N(C2=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N4O2S/c24-17-16(14-20-10-7-13-22-11-5-2-6-12-22)18(25)23(19(26)21-17)15-8-3-1-4-9-15/h1,3-4,8-9,14,20H,2,5-7,10-13H2,(H,21,24,26)/p+1/b16-14+