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

Systemtic Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-(3-methoxyphenyl)-5-[2-(1-piperidin-1-iumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-(3-methoxyphenyl)-5-(2-piperidin-1-ium-1-ylethyliminomethyl)barbituric acid Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4/c1-27-15-7-5-6-14(12-15)23-18(25)16(17(24)21-19(23)26)13-20-8-11-22-9-3-2-4-10-22/h5-7,12-13,16H,2-4,8-11H2,1H3,(H,21,24,26)/p+1/t16-/m0/s1