O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]carbamothioate

Systemtic Name: O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]carbamothioate Openeye Name: O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-quinolin-1-ium-6-yl]carbamothioate CAS Name: N-[2-(2-methylprop-1-enyl)-1-prop-2-ynyl-6-quinolin-1-iumyl]carbamothioic acid O-ethyl ester IUPAC Name: O-ethyl N-[2-(2-methylprop-1-enyl)-1-prop-2-ynylquinolin-1-ium-6-yl]carbamothioate Traditional Name: N-[2-(2-methylprop-1-enyl)-1-propargyl-quinolin-1-ium-6-yl]thiocarbamic acid O-ethyl ester Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2OS/c1-5-11-21-17(12-14(3)4)9-7-15-13-16(8-10-18(15)21)20-19(23)22-6-2/h1,7-10,12-13H,6,11H2,2-4H3/p+1