(2E)-2-ethylidene-1H-quinolin-1-ium; 3-methyl-2H-1,3-benzothiazole; iodide

Systemtic Name: (2E)-2-ethylidene-1H-quinolin-1-ium; 3-methyl-2H-1,3-benzothiazole; iodide Openeye Name: (2E)-2-ethylidene-1H-quinolin-1-ium; 3-methyl-2H-1,3-benzothiazole; iodide CAS Name: (2E)-2-ethylidene-1H-quinolin-1-ium; 3-methyl-2H-1,3-benzothiazole; iodide IUPAC Name: (2E)-2-ethylidene-1H-quinolin-1-ium; 3-methyl-2H-1,3-benzothiazole; iodide Traditional Name: (2E)-2-ethylidene-1H-quinolin-1-ium; 3-methyl-2H-1,3-benzothiazole; iodide Formula: C19H21IN2S MolecularWeight: 436.35291

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C=CC2=CC=CC=C2[NH2+]1.CN1CSC2=CC=CC=C21.[I-]

Isomeric SMILES

C/C=C/1\C=CC2=CC=CC=C2[NH2+]1.CN1CSC2=CC=CC=C21.[I-]

InChI

InChI=1S/C11H11N.C8H9NS.HI/c1-2-10-8-7-9-5-3-4-6-11(9)12-10;1-9-6-10-8-5-3-2-4-7(8)9;/h2-8,12H,1H3;2-5H,6H2,1H3;1H/b10-2+;;