2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[(2S)-2-ethylhexanoyl]-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[(2S)-2-ethyl-1-oxohexyl]-[2-(3-isoxazolylamino)-2-oxoethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(2S)-2-ethylhexanoyl]-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[(2S)-2-ethylhexanoyl]-[2-(isoxazol-3-ylamino)-2-keto-ethyl]amino]ethyl-dimethyl-ammonium Formula: C17H31N4O3+ MolecularWeight: 339.45304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CC[NH+](C)C)CC(=O)NC1=NOC=C1

Isomeric SMILES

CCCC[C@H](CC)C(=O)N(CC[NH+](C)C)CC(=O)NC1=NOC=C1

InChI

InChI=1S/C17H30N4O3/c1-5-7-8-14(6-2)17(23)21(11-10-20(3)4)13-16(22)18-15-9-12-24-19-15/h9,12,14H,5-8,10-11,13H2,1-4H3,(H,18,19,22)/p+1/t14-/m0/s1