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

Systemtic Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: 2-[[2,6-dimethyl-1-(4-methyl-1-piperazin-4-iumyl)-4-pyridin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C21H28N4S+2 MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[N+]1N2CC[NH+](CC2)C)C)C=C3N(C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC(=CC(=[N+]1N2CC[NH+](CC2)C)C)C=C3N(C4=CC=CC=C4S3)C

InChI

InChI=1S/C21H27N4S/c1-16-13-18(14-17(2)25(16)24-11-9-22(3)10-12-24)15-21-23(4)19-7-5-6-8-20(19)26-21/h5-8,13-15H,9-12H2,1-4H3/q+1/p+1