1-naphthalen-1-yl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-naphthalen-1-yl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: 1-(1-naphthyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]hexahydropyrimidine-2,4,6-trione CAS Name: 1-(1-naphthalenyl)-5-[[2-(1-piperazin-4-iumyl)ethylamino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: 1-naphthalen-1-yl-5-[(2-piperazin-4-ium-1-ylethylamino)methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: 1-(1-naphthyl)-5-[(2-piperazin-4-ium-1-ylethylamino)methylene]barbituric acid Formula: C21H24N5O3+ MolecularWeight: 394.44696

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH2+]1)CCNC=C2C(=O)NC(=O)N(C2=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N5O3/c27-19-17(14-23-10-13-25-11-8-22-9-12-25)20(28)26(21(29)24-19)18-7-3-5-15-4-1-2-6-16(15)18/h1-7,14,22-23H,8-13H2,(H,24,27,29)/p+1