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

Systemtic Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-(3,5-dimethyl-1-cyclohex-2-enylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium iodide Formula: C18H22INS MolecularWeight: 411.34345

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22NS.HI/c1-4-19-16-7-5-6-8-17(16)20-18(19)12-15-10-13(2)9-14(3)11-15;/h5-8,10,12,14H,4,9,11H2,1-3H3;1H/q+1;/p-1/b15-12-;