3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide

Systemtic Name: 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide CAS Name: 3-ethyl-2-[(Z)-(3,5,5-trimethyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 3-ethyl-2-[(Z)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium iodide Formula: C19H24INS MolecularWeight: 425.37003

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3CC(CC(=C3)C)(C)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C\3/CC(CC(=C3)C)(C)C.[I-]

InChI

InChI=1S/C19H24NS.HI/c1-5-20-16-8-6-7-9-17(16)21-18(20)11-15-10-14(2)12-19(3,4)13-15;/h6-11H,5,12-13H2,1-4H3;1H/q+1;/p-1/b15-11+;