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

Systemtic Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Openeye Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole CAS Name: 2-[[2,6-dimethyl-1-(4-methyl-1-piperazin-4-iumyl)-4-pyridin-1-iumyl]methylidene]-3-ethyl-1,3-benzothiazole IUPAC Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylidene]-3-ethyl-1,3-benzothiazole Traditional Name: 2-[[2,6-dimethyl-1-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-4-yl]methylene]-3-ethyl-1,3-benzothiazole Formula: C22H30N4S+2 MolecularWeight: 382.5654

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)N4CC[NH+](CC4)C)C

Isomeric SMILES

CCN1C2=CC=CC=C2SC1=CC3=CC(=[N+](C(=C3)C)N4CC[NH+](CC4)C)C

InChI

InChI=1S/C22H29N4S/c1-5-25-20-8-6-7-9-21(20)27-22(25)16-19-14-17(2)26(18(3)15-19)24-12-10-23(4)11-13-24/h6-9,14-16H,5,10-13H2,1-4H3/q+1/p+1