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

Systemtic Name: (5S)-1-(2,5-dimethoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5S)-1-(2,5-dimethoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5S)-1-(2,5-dimethoxyphenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5S)-1-(2,5-dimethoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5S)-1-(2,5-dimethoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H27N4O4S+ MolecularWeight: 419.51778

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)N2C(=O)C(C(=O)NC2=S)C=NCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)N2C(=O)[C@H](C(=O)NC2=S)C=NCC[NH+]3CCCCC3

InChI

InChI=1S/C20H26N4O4S/c1-27-14-6-7-17(28-2)16(12-14)24-19(26)15(18(25)22-20(24)29)13-21-8-11-23-9-4-3-5-10-23/h6-7,12-13,15H,3-5,8-11H2,1-2H3,(H,22,25,29)/p+1/t15-/m0/s1