(2Z)-3-ethyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole

Systemtic Name: (2Z)-3-ethyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-ethyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole CAS Name: (2Z)-3-ethyl-2-[[1-[3-(1-imidazolyl)propyl]-2,6-dimethyl-4-pyridin-1-iumyl]methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-ethyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethylpyridin-1-ium-4-yl]methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-ethyl-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-1,3-benzothiazole Formula: C23H27N4S+ MolecularWeight: 391.55228

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)CCCN4C=CN=C4)C

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=CC(=[N+](C(=C3)C)CCCN4C=CN=C4)C

InChI

InChI=1S/C23H27N4S/c1-4-26-21-8-5-6-9-22(21)28-23(26)16-20-14-18(2)27(19(3)15-20)12-7-11-25-13-10-24-17-25/h5-6,8-10,13-17H,4,7,11-12H2,1-3H3/q+1