O-ethyl N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)carbamothioate

Systemtic Name: O-ethyl N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)carbamothioate Openeye Name: O-ethyl N-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)carbamothioate CAS Name: N-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)carbamothioate Traditional Name: N-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)thiocarbamic acid O-ethyl ester Formula: C16H17N2OS+ MolecularWeight: 285.38398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)NC1=CC2=C(C=C1)[N+](=C(C=C2)C)CC#C

Isomeric SMILES

CCOC(=S)NC1=CC2=C(C=C1)[N+](=C(C=C2)C)CC#C

InChI

InChI=1S/C16H16N2OS/c1-4-10-18-12(3)6-7-13-11-14(8-9-15(13)18)17-16(20)19-5-2/h1,6-9,11H,5,10H2,2-3H3/p+1