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

Systemtic Name: (5R)-1-(2-methylphenyl)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5R)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5R)-1-(2-methylphenyl)-5-[2-(4-morpholin-4-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5R)-1-(2-methylphenyl)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5R)-5-(2-morpholin-4-ium-4-ylethyliminomethyl)-1-(o-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H23N4O3S+ MolecularWeight: 375.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)[C@@H](C(=O)NC2=S)C=NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H22N4O3S/c1-13-4-2-3-5-15(13)22-17(24)14(16(23)20-18(22)26)12-19-6-7-21-8-10-25-11-9-21/h2-5,12,14H,6-11H2,1H3,(H,20,23,26)/p+1/t14-/m1/s1