1-(3-methoxyphenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3-methoxyphenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-methoxyphenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-methoxyphenyl)-5-[[3-(4-morpholin-4-iumyl)propylamino]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-methoxyphenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-methoxyphenyl)-5-[(3-morpholin-4-ium-4-ylpropylamino)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O4S+ MolecularWeight: 405.4912

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C(=CNCCC[NH+]3CCOCC3)C(=O)NC2=S

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C(=CNCCC[NH+]3CCOCC3)C(=O)NC2=S

InChI

InChI=1S/C19H24N4O4S/c1-26-15-5-2-4-14(12-15)23-18(25)16(17(24)21-19(23)28)13-20-6-3-7-22-8-10-27-11-9-22/h2,4-5,12-13,20H,3,6-11H2,1H3,(H,21,24,28)/p+1