5-[(3,4-dimethoxyphenyl)methyl]-5-(2-pyridin-1-ium-2-ylethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-5-(2-pyridin-1-ium-2-ylethyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-5-(2-pyridin-1-ium-2-ylethyl)hexahydropyrimidine-2,4,6-trione CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-5-[2-(2-pyridin-1-iumyl)ethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-5-(2-pyridin-1-ium-2-ylethyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-(2-pyridin-1-ium-2-ylethyl)-5-veratryl-barbituric acid Formula: C20H22N3O5+ MolecularWeight: 384.40578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=[NH+]3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=CC=[NH+]3)OC

InChI

InChI=1S/C20H21N3O5/c1-27-15-7-6-13(11-16(15)28-2)12-20(9-8-14-5-3-4-10-21-14)17(24)22-19(26)23-18(20)25/h3-7,10-11H,8-9,12H2,1-2H3,(H2,22,23,24,25,26)/p+1