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

Systemtic Name: (2Z)-2-[[2,6-dimethyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[[2,6-dimethyl-1-(3-pyridylmethyl)pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[[2,6-dimethyl-1-(3-pyridinylmethyl)-4-pyridin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[[2,6-dimethyl-1-(pyridin-3-ylmethyl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[[2,6-dimethyl-1-(3-pyridylmethyl)pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C22H22N3S+ MolecularWeight: 360.49518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1CC2=CN=CC=C2)C)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=[N+]1CC2=CN=CC=C2)C)/C=C\3/N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C22H22N3S/c1-16-11-19(12-17(2)25(16)15-18-7-6-10-23-14-18)13-22-24(3)20-8-4-5-9-21(20)26-22/h4-14H,15H2,1-3H3/q+1