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

Systemtic Name: (5E)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C15H23N4O2S+ MolecularWeight: 323.43372

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CNCC[NH+]2CCCCC2)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)/C(=C/NCC[NH+]2CCCCC2)/C(=O)NC1=S

InChI

InChI=1S/C15H22N4O2S/c1-2-7-19-14(21)12(13(20)17-15(19)22)11-16-6-10-18-8-4-3-5-9-18/h2,11,16H,1,3-10H2,(H,17,20,22)/p+1/b12-11+