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

Systemtic Name: 3-ethyl-2-[(Z)-(3-methylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(Z)-(3-methylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(Z)-(3-methyl-1-cyclohex-2-enylidene)methyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(Z)-(3-methylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(Z)-(3-methylcyclohex-2-en-1-ylidene)methyl]-1,3-benzothiazol-3-ium Formula: C17H20NS+ MolecularWeight: 270.4124

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C3CCCC(=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H20NS/c1-3-18-15-9-4-5-10-16(15)19-17(18)12-14-8-6-7-13(2)11-14/h4-5,9-12H,3,6-8H2,1-2H3/q+1/b14-12-