(2Z)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-pyrimidin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole

Systemtic Name: (2Z)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-pyrimidin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Openeye Name: (2Z)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole CAS Name: (2Z)-2-[[2-(4,4-dimethyl-1-piperazin-4-iumyl)-6-methyl-1-phenyl-4-pyrimidin-1-iumyl]methylidene]-3-methyl-1,3-benzothiazole IUPAC Name: (2Z)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-6-methyl-1-phenylpyrimidin-1-ium-4-yl]methylidene]-3-methyl-1,3-benzothiazole Traditional Name: (2Z)-2-[[2-(4,4-dimethylpiperazin-4-ium-1-yl)-6-methyl-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-3-methyl-1,3-benzothiazole Formula: C26H31N5S+2 MolecularWeight: 445.62284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)N4CC[N+](CC4)(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)N4CC[N+](CC4)(C)C)C5=CC=CC=C5

InChI

InChI=1S/C26H31N5S/c1-20-18-21(19-25-28(2)23-12-8-9-13-24(23)32-25)27-26(29-14-16-31(3,4)17-15-29)30(20)22-10-6-5-7-11-22/h5-13,18-19H,14-17H2,1-4H3/q+2