5-(2-pyridin-1-ium-4-ylethyl)-5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-(2-pyridin-1-ium-4-ylethyl)-5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-(2-pyridin-1-ium-4-ylethyl)-5-(2-thienylmethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[2-(4-pyridin-1-iumyl)ethyl]-5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione IUPAC Name: 5-(2-pyridin-1-ium-4-ylethyl)-5-(thiophen-2-ylmethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-pyridin-1-ium-4-ylethyl)-5-(2-thenyl)barbituric acid Formula: C16H16N3O3S+ MolecularWeight: 330.38154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=[NH+]C=C3

Isomeric SMILES

C1=CSC(=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=[NH+]C=C3

InChI

InChI=1S/C16H15N3O3S/c20-13-16(10-12-2-1-9-23-12,14(21)19-15(22)18-13)6-3-11-4-7-17-8-5-11/h1-2,4-5,7-9H,3,6,10H2,(H2,18,19,20,21,22)/p+1