4-[2-(3-chlorophenyl)ethanoyl-methyl-amino]but-2-ynyl-trimethyl-azanium

Systemtic Name: 4-[2-(3-chlorophenyl)ethanoyl-methyl-amino]but-2-ynyl-trimethyl-azanium Openeye Name: 4-[[2-(3-chlorophenyl)acetyl]-methyl-amino]but-2-ynyl-trimethyl-ammonium CAS Name: 4-[[2-(3-chlorophenyl)-1-oxoethyl]-methylamino]but-2-ynyl-trimethylammonium IUPAC Name: 4-[[2-(3-chlorophenyl)acetyl]-methylamino]but-2-ynyl-trimethylazanium Traditional Name: 4-[[2-(3-chlorophenyl)acetyl]-methyl-amino]but-2-ynyl-trimethyl-ammonium Formula: C16H22ClN2O+ MolecularWeight: 293.81168

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC[N+](C)(C)C)C(=O)CC1=CC(=CC=C1)Cl

Isomeric SMILES

CN(CC#CC[N+](C)(C)C)C(=O)CC1=CC(=CC=C1)Cl

InChI

InChI=1S/C16H22ClN2O/c1-18(10-5-6-11-19(2,3)4)16(20)13-14-8-7-9-15(17)12-14/h7-9,12H,10-11,13H2,1-4H3/q+1