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

Systemtic Name: (2Z)-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[[1-[3-(1-imidazolyl)propyl]-2,6-dimethyl-4-pyridin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethylpyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[[1-(3-imidazol-1-ylpropyl)-2,6-dimethyl-pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C22H25N4S+ MolecularWeight: 377.5257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CCCN2C=CN=C2)C)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=[N+]1CCCN2C=CN=C2)C)/C=C\3/N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C22H25N4S/c1-17-13-19(15-22-24(3)20-7-4-5-8-21(20)27-22)14-18(2)26(17)11-6-10-25-12-9-23-16-25/h4-5,7-9,12-16H,6,10-11H2,1-3H3/q+1