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

Systemtic Name: 3-ethyl-5-methoxy-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5-methoxy-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-5-methoxy-2-[(3,5,5-trimethyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5-methoxy-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-5-methoxy-2-[(3,5,5-trimethylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C20H26NOS+ MolecularWeight: 328.49154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NOS/c1-6-21-17-11-16(22-5)7-8-18(17)23-19(21)10-15-9-14(2)12-20(3,4)13-15/h7-11H,6,12-13H2,1-5H3/q+1