5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione Openeye Name: 5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1-(p-tolyl)hexahydropyrimidine-2,4,6-trione CAS Name: 1-(4-methylphenyl)-5-[1-[2-(1-piperidin-1-iumyl)ethylimino]propyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione Traditional Name: 5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1-(p-tolyl)barbituric acid Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NCC[NH+]1CCCCC1)C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC(=NCC[NH+]1CCCCC1)C2C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H28N4O3/c1-3-17(22-11-14-24-12-5-4-6-13-24)18-19(26)23-21(28)25(20(18)27)16-9-7-15(2)8-10-16/h7-10,18H,3-6,11-14H2,1-2H3,(H,23,26,28)/p+1