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

Systemtic Name: (5S)-1-(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(2-methoxyphenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(2-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H25N4O3S+ MolecularWeight: 389.4918

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H24N4O3S/c1-26-16-8-4-3-7-15(16)23-18(25)14(17(24)21-19(23)27)13-20-9-12-22-10-5-2-6-11-22/h3-4,7-8,13-14H,2,5-6,9-12H2,1H3,(H,21,24,27)/p+1/t14-/m0/s1