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

Systemtic Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-5-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-5-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 2-[(E)-(3,5-dimethyl-1-cyclohex-2-enylidene)methyl]-3-ethyl-5-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-5-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 2-[(E)-(3,5-dimethylcyclohex-2-en-1-ylidene)methyl]-3-ethyl-5-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=C1C=C(C=C2)C)C=C3CC(CC(=C3)C)C.[I-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)C)/C=C/3\CC(CC(=C3)C)C.[I-]

InChI

InChI=1S/C19H24NS.HI/c1-5-20-17-11-13(2)6-7-18(17)21-19(20)12-16-9-14(3)8-15(4)10-16;/h6-7,9,11-12,15H,5,8,10H2,1-4H3;1H/q+1;/p-1/b16-12-;