(5E)-5-[1-(2-piperazin-4-ium-1-ylethylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: (5E)-5-[1-(2-piperazin-4-ium-1-ylethylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: (5E)-1-allyl-5-[1-(2-piperazin-4-ium-1-ylethylamino)propylidene]hexahydropyrimidine-2,4,6-trione CAS Name: (5E)-5-[1-[2-(1-piperazin-4-iumyl)ethylamino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: (5E)-5-[1-(2-piperazin-4-ium-1-ylethylamino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: (5E)-1-allyl-5-[1-(2-piperazin-4-ium-1-ylethylamino)propylidene]barbituric acid Formula: C16H26N5O3+ MolecularWeight: 336.40934

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)NC(=O)N(C1=O)CC=C)NCCN2CC[NH2+]CC2

Isomeric SMILES

CC/C(=C\1/C(=O)NC(=O)N(C1=O)CC=C)/NCCN2CC[NH2+]CC2

InChI

InChI=1S/C16H25N5O3/c1-3-8-21-15(23)13(14(22)19-16(21)24)12(4-2)18-7-11-20-9-5-17-6-10-20/h3,17-18H,1,4-11H2,2H3,(H,19,22,24)/p+1/b13-12+