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

Systemtic Name: 3-[[[(2S)-butan-2-yl]amino]-[(5-oxidanylidene-1,2-dihydropyrazol-3-yl)carbonyl]amino]propyl-diethyl-azanium Openeye Name: diethyl-[3-[[[(1S)-1-methylpropyl]amino]-(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propyl]ammonium CAS Name: 3-[[[(2S)-butan-2-yl]amino]-[oxo-(5-oxo-1,2-dihydropyrazol-3-yl)methyl]amino]propyl-diethylammonium IUPAC Name: 3-[[[(2S)-butan-2-yl]amino]-(5-oxo-1,2-dihydropyrazole-3-carbonyl)amino]propyl-diethylazanium Traditional Name: diethyl-[3-[(5-keto-3-pyrazoline-3-carbonyl)-[[(1S)-1-methylpropyl]amino]amino]propyl]ammonium Formula: C15H30N5O2+ MolecularWeight: 312.431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N5O2/c1-5-12(4)18-20(10-8-9-19(6-2)7-3)15(22)13-11-14(21)17-16-13/h11-12,18H,5-10H2,1-4H3,(H2,16,17,21)/p+1/t12-/m0/s1