(5S)-1-hexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-1-hexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-hexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-hexyl-5-[2-(1-piperazine-1,4-diiumyl)ethyliminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-hexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-hexyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)barbituric acid Formula: C17H31N5O3+2 MolecularWeight: 353.45974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C(=O)NC1=O)C=NCC[NH+]2CC[NH2+]CC2

Isomeric SMILES

CCCCCCN1C(=O)[C@H](C(=O)NC1=O)C=NCC[NH+]2CC[NH2+]CC2

InChI

InChI=1S/C17H29N5O3/c1-2-3-4-5-9-22-16(24)14(15(23)20-17(22)25)13-19-8-12-21-10-6-18-7-11-21/h13-14,18H,2-12H2,1H3,(H,20,23,25)/p+2/t14-/m0/s1