1,3-dimethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1,3-dimethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1,3-dimethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-phenyl]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1,3-dimethyl-5-[[4-(4-methyl-1-piperazin-4-iumyl)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1,3-dimethyl-5-[[4-(4-methylpiperazin-4-ium-1-yl)-3-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1,3-dimethyl-5-[4-(4-methylpiperazin-4-ium-1-yl)-3-nitro-benzylidene]barbituric acid Formula: C18H22N5O5+ MolecularWeight: 388.39778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C=C3C(=O)N(C(=O)N(C3=O)C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N5O5/c1-19-6-8-22(9-7-19)14-5-4-12(11-15(14)23(27)28)10-13-16(24)20(2)18(26)21(3)17(13)25/h4-5,10-11H,6-9H2,1-3H3/p+1