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

Systemtic Name: 4-[(3-chlorophenyl)carbamoyl-methyl-amino]but-2-ynyl-trimethyl-azanium Openeye Name: 4-[(3-chlorophenyl)carbamoyl-methyl-amino]but-2-ynyl-trimethyl-ammonium CAS Name: 4-[[(3-chloroanilino)-oxomethyl]-methylamino]but-2-ynyl-trimethylammonium IUPAC Name: 4-[(3-chlorophenyl)carbamoyl-methylamino]but-2-ynyl-trimethylazanium Traditional Name: 4-[(3-chlorophenyl)carbamoyl-methyl-amino]but-2-ynyl-trimethyl-ammonium Formula: C15H21ClN3O+ MolecularWeight: 294.79974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC#CC[N+](C)(C)C)C(=O)NC1=CC(=CC=C1)Cl

Isomeric SMILES

CN(CC#CC[N+](C)(C)C)C(=O)NC1=CC(=CC=C1)Cl

InChI

InChI=1S/C15H20ClN3O/c1-18(10-5-6-11-19(2,3)4)15(20)17-14-9-7-8-13(16)12-14/h7-9,12H,10-11H2,1-4H3/p+1