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

Systemtic Name: (5Z)-1-hexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Openeye Name: (5Z)-1-hexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]hexahydropyrimidine-2,4,6-trione CAS Name: (5Z)-1-hexyl-5-[[(4-methyl-1-piperazin-4-iumyl)amino]methylidene]-1,3-diazinane-2,4,6-trione IUPAC Name: (5Z)-1-hexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione Traditional Name: (5Z)-1-hexyl-5-[[(4-methylpiperazin-4-ium-1-yl)amino]methylene]barbituric acid Formula: C16H28N5O3+ MolecularWeight: 338.42522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(=CNN2CC[NH+](CC2)C)C(=O)NC1=O

Isomeric SMILES

CCCCCCN1C(=O)/C(=C\NN2CC[NH+](CC2)C)/C(=O)NC1=O

InChI

InChI=1S/C16H27N5O3/c1-3-4-5-6-7-21-15(23)13(14(22)18-16(21)24)12-17-20-10-8-19(2)9-11-20/h12,17H,3-11H2,1-2H3,(H,18,22,24)/p+1/b13-12-