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

Systemtic Name: (5S)-1-(3-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(3-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(3-methoxyphenyl)-5-[3-(4-morpholin-4-iumyl)propyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(3-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(3-methoxyphenyl)-5-(3-morpholin-4-ium-4-ylpropyliminomethyl)-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(C(=O)NC2=S)C=NCCC[NH+]3CCOCC3

Isomeric SMILES

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

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/h2,4-5,12-13,16H,3,6-11H2,1H3,(H,21,24,28)/p+1/t16-/m0/s1