1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-phenyl-thiourea bromide

Systemtic Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-phenyl-thiourea bromide Openeye Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-phenyl-thiourea bromide CAS Name: 1-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)-3-phenylthiourea bromide IUPAC Name: 1-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-3-phenylthiourea bromide Traditional Name: 1-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)-3-phenyl-thiourea bromide Formula: C20H18BrN3S MolecularWeight: 412.34602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=S)NC3=CC=CC=C3)CC#C.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=S)NC3=CC=CC=C3)CC#C.[Br-]

InChI

InChI=1S/C20H17N3S.BrH/c1-3-13-23-15(2)9-10-16-14-18(11-12-19(16)23)22-20(24)21-17-7-5-4-6-8-17;/h1,4-12,14H,13H2,2H3,(H-,21,22,24);1H