(2-chloranyl-6-fluoranyl-phenyl)methyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-[2-(1,1-diethylprop-2-ynylamino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-methylammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-[2-(3-ethylpent-1-yn-3-ylamino)-2-oxoethyl]-methylazanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-(1,1-diethylprop-2-ynylamino)-2-keto-ethyl]-methyl-ammonium Formula: C17H23ClFN2O+ MolecularWeight: 325.828723

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)C[NH+](C)CC1=C(C=CC=C1Cl)F

Isomeric SMILES

CCC(CC)(C#C)NC(=O)C[NH+](C)CC1=C(C=CC=C1Cl)F

InChI

InChI=1S/C17H22ClFN2O/c1-5-17(6-2,7-3)20-16(22)12-21(4)11-13-14(18)9-8-10-15(13)19/h1,8-10H,6-7,11-12H2,2-4H3,(H,20,22)/p+1