3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-5,6-dimethyl-2-[(E)-(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C21H28NS+ MolecularWeight: 326.51872

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C(=C2)C)C)C=C3CC(CC(=C3)C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H28NS/c1-7-22-18-9-15(3)16(4)10-19(18)23-20(22)11-17-8-14(2)12-21(5,6)13-17/h8-11H,7,12-13H2,1-6H3/q+1/b17-11-