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

Systemtic Name: (5E)-1-cyclohexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-cyclohexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-cyclohexyl-5-[[2-(1-piperidin-1-iumyl)ethylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-cyclohexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-cyclohexyl-5-[(2-piperidin-1-ium-1-ylethylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H29N4O2S+ MolecularWeight: 365.51346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C(=CNCC[NH+]3CCCCC3)C(=O)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)/C(=C/NCC[NH+]3CCCCC3)/C(=O)NC2=S

InChI

InChI=1S/C18H28N4O2S/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/h13-14,19H,1-12H2,(H,20,23,25)/p+1/b15-13+