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

Systemtic Name: 4-[(3-chlorophenyl)carbamoyl-methyl-amino]pent-2-ynyl-trimethyl-azanium Openeye Name: 4-[(3-chlorophenyl)carbamoyl-methyl-amino]pent-2-ynyl-trimethyl-ammonium CAS Name: 4-[[(3-chloroanilino)-oxomethyl]-methylamino]pent-2-ynyl-trimethylammonium IUPAC Name: 4-[(3-chlorophenyl)carbamoyl-methylamino]pent-2-ynyl-trimethylazanium Traditional Name: 4-[(3-chlorophenyl)carbamoyl-methyl-amino]pent-2-ynyl-trimethyl-ammonium Formula: C16H23ClN3O+ MolecularWeight: 308.82632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22ClN3O/c1-13(8-7-11-20(3,4)5)19(2)16(21)18-15-10-6-9-14(17)12-15/h6,9-10,12-13H,11H2,1-5H3/p+1