1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-phenylsulfanyl-urea bromide

Systemtic Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-phenylsulfanyl-urea bromide Openeye Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-3-phenylsulfanyl-urea bromide CAS Name: 1-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)-3-(phenylthio)urea bromide IUPAC Name: 1-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-3-phenylsulfanylurea bromide Traditional Name: 1-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)-3-(phenylthio)urea bromide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NSC3=CC=CC=C3)CC#C.[Br-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)NSC3=CC=CC=C3)CC#C.[Br-]

InChI

InChI=1S/C20H17N3OS.BrH/c1-3-13-23-15(2)9-10-16-14-17(11-12-19(16)23)21-20(24)22-25-18-7-5-4-6-8-18;/h1,4-12,14H,13H2,2H3,(H-,21,22,24);1H