(5S)-1-butyl-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethenyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-1-butyl-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethenyl]-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-1-butyl-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]vinyl]hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-1-butyl-5-[1-[(4-methyl-1-piperazin-4-iumyl)amino]ethenyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-1-butyl-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]ethenyl]-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-1-butyl-5-[1-[(4-methylpiperazin-4-ium-1-yl)amino]vinyl]barbituric acid Formula: C15H26N5O3+ MolecularWeight: 324.39864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C(C(=O)NC1=O)C(=C)NN2CC[NH+](CC2)C

Isomeric SMILES

CCCCN1C(=O)[C@H](C(=O)NC1=O)C(=C)NN2CC[NH+](CC2)C

InChI

InChI=1S/C15H25N5O3/c1-4-5-6-20-14(22)12(13(21)16-15(20)23)11(2)17-19-9-7-18(3)8-10-19/h12,17H,2,4-10H2,1,3H3,(H,16,21,23)/p+1/t12-/m0/s1