2-[[[(2S)-butan-2-yl]amino]-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)carbonyl]amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[[(2S)-butan-2-yl]amino]-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)carbonyl]amino]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[[[(1S)-1-methylpropyl]amino]-(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]ethyl]ammonium CAS Name: 2-[[[(2S)-butan-2-yl]amino]-[oxo-(5-oxo-1,2-dihydropyrazol-3-yl)methyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[[(2S)-butan-2-yl]amino]-(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]ethyl-diethylazanium Traditional Name: diethyl-[2-[(5-keto-3-pyrazoline-3-carbonyl)-[[(1S)-1-methylpropyl]amino]amino]ethyl]ammonium Formula: C14H28N5O2+ MolecularWeight: 298.40442

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NN(CC[NH+](CC)CC)C(=O)C1=CC(=O)NN1

Isomeric SMILES

CC[C@H](C)NN(CC[NH+](CC)CC)C(=O)C1=CC(=O)NN1

InChI

InChI=1S/C14H27N5O2/c1-5-11(4)17-19(9-8-18(6-2)7-3)14(21)12-10-13(20)16-15-12/h10-11,17H,5-9H2,1-4H3,(H2,15,16,20)/p+1/t11-/m0/s1