(5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-(1-naphthyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1-(1-naphthalenyl)-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1-naphthalen-1-yl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]-1-(1-naphthyl)barbituric acid Formula: C20H22N5O3+ MolecularWeight: 380.42038

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)N/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C20H21N5O3/c1-23-9-11-24(12-10-23)21-13-16-18(26)22-20(28)25(19(16)27)17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13,21H,9-12H2,1H3,(H,22,26,28)/p+1/b16-13+