[(5S)-4-[(2S)-butan-2-yl]-5-methyl-6-oxidanylidene-5H-1,2,4-triazin-1-yl]methyl-diethyl-azanium

Systemtic Name: [(5S)-4-[(2S)-butan-2-yl]-5-methyl-6-oxidanylidene-5H-1,2,4-triazin-1-yl]methyl-diethyl-azanium Openeye Name: diethyl-[[(5S)-5-methyl-4-[(1S)-1-methylpropyl]-6-oxo-5H-1,2,4-triazin-1-yl]methyl]ammonium CAS Name: [(5S)-4-[(2S)-butan-2-yl]-5-methyl-6-oxo-5H-1,2,4-triazin-1-yl]methyl-diethylammonium IUPAC Name: [(5S)-4-[(2S)-butan-2-yl]-5-methyl-6-oxo-5H-1,2,4-triazin-1-yl]methyl-diethylazanium Traditional Name: diethyl-[[(5S)-6-keto-5-methyl-4-[(1S)-1-methylpropyl]-5H-1,2,4-triazin-1-yl]methyl]ammonium Formula: C13H27N4O+ MolecularWeight: 255.37968

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=NN(C(=O)C1C)C[NH+](CC)CC

Isomeric SMILES

CC[C@H](C)N1C=NN(C(=O)[C@@H]1C)C[NH+](CC)CC

InChI

InChI=1S/C13H26N4O/c1-6-11(4)16-9-14-17(13(18)12(16)5)10-15(7-2)8-3/h9,11-12H,6-8,10H2,1-5H3/p+1/t11-,12-/m0/s1