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

Systemtic Name: (5E)-1-cyclopropyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-cyclopropyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-cyclopropyl-5-[[3-(1-piperidin-1-iumyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-cyclopropyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-cyclopropyl-5-[(3-piperidin-1-ium-1-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H25N4O2S+ MolecularWeight: 337.4603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNC=C2C(=O)NC(=S)N(C2=O)C3CC3

Isomeric SMILES

C1CC[NH+](CC1)CCCN/C=C/2\C(=O)NC(=S)N(C2=O)C3CC3

InChI

InChI=1S/C16H24N4O2S/c21-14-13(15(22)20(12-5-6-12)16(23)18-14)11-17-7-4-10-19-8-2-1-3-9-19/h11-12,17H,1-10H2,(H,18,21,23)/p+1/b13-11+