(5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-cyclopropyl-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-cyclopropyl-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H21N4O3S+ MolecularWeight: 325.40654

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CCOCC3

Isomeric SMILES

C1CC1N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CCOCC3

InChI

InChI=1S/C14H20N4O3S/c19-12-11(9-15-3-4-17-5-7-21-8-6-17)13(20)18(10-1-2-10)14(22)16-12/h9-11H,1-8H2,(H,16,19,22)/p+1/t11-/m0/s1