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

Systemtic Name: 3-[[(2S)-2-ethylhexanoyl]-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-2-ethylhexanoyl]-[2-oxo-2-(thiazol-2-ylamino)ethyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-2-ethyl-1-oxohexyl]-[2-oxo-2-(2-thiazolylamino)ethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-2-ethylhexanoyl]-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-ethylhexanoyl]-[2-keto-2-(thiazol-2-ylamino)ethyl]amino]propyl-dimethyl-ammonium Formula: C18H33N4O2S+ MolecularWeight: 369.54522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)N(CCC[NH+](C)C)CC(=O)NC1=NC=CS1

Isomeric SMILES

CCCC[C@H](CC)C(=O)N(CCC[NH+](C)C)CC(=O)NC1=NC=CS1

InChI

InChI=1S/C18H32N4O2S/c1-5-7-9-15(6-2)17(24)22(12-8-11-21(3)4)14-16(23)20-18-19-10-13-25-18/h10,13,15H,5-9,11-12,14H2,1-4H3,(H,19,20,23)/p+1/t15-/m0/s1