1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-2H-1,2,3,4-tetrazole-5-thione iodide

Systemtic Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-2H-1,2,3,4-tetrazole-5-thione iodide Openeye Name: 1-(2-methyl-1-prop-2-ynyl-quinolin-1-ium-6-yl)-2H-tetrazole-5-thione iodide CAS Name: 1-(2-methyl-1-prop-2-ynyl-6-quinolin-1-iumyl)-2H-tetrazole-5-thione iodide IUPAC Name: 1-(2-methyl-1-prop-2-ynylquinolin-1-ium-6-yl)-2H-tetrazole-5-thione iodide Traditional Name: 1-(2-methyl-1-propargyl-quinolin-1-ium-6-yl)-2H-tetrazole-5-thione iodide Formula: C14H12IN5S MolecularWeight: 409.24805

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)N3C(=S)N=NN3)CC#C.[I-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)N3C(=S)N=NN3)CC#C.[I-]

InChI

InChI=1S/C14H11N5S.HI/c1-3-8-18-10(2)4-5-11-9-12(6-7-13(11)18)19-14(20)15-16-17-19;/h1,4-7,9H,8H2,2H3;1H