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

Systemtic Name: (2Z)-3-methyl-2-[[6-methyl-2-(1-methylpiperidin-1-ium-1-yl)sulfanyl-1-phenyl-pyrimidin-1-ium-4-yl]methylidene]-1,3-benzothiazole Openeye Name: (2Z)-3-methyl-2-[[6-methyl-2-(1-methylpiperidin-1-ium-1-yl)sulfanyl-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-1,3-benzothiazole CAS Name: (2Z)-3-methyl-2-[[6-methyl-2-[(1-methyl-1-piperidin-1-iumyl)thio]-1-phenyl-4-pyrimidin-1-iumyl]methylidene]-1,3-benzothiazole IUPAC Name: (2Z)-3-methyl-2-[[6-methyl-2-(1-methylpiperidin-1-ium-1-yl)sulfanyl-1-phenylpyrimidin-1-ium-4-yl]methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[[6-methyl-2-[(1-methylpiperidin-1-ium-1-yl)thio]-1-phenyl-pyrimidin-1-ium-4-yl]methylene]-1,3-benzothiazole Formula: C26H30N4S2+2 MolecularWeight: 462.6732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=NC(=C1)C=C2N(C3=CC=CC=C3S2)C)S[N+]4(CCCCC4)C)C5=CC=CC=C5

Isomeric SMILES

CC1=[N+](C(=NC(=C1)/C=C\2/N(C3=CC=CC=C3S2)C)S[N+]4(CCCCC4)C)C5=CC=CC=C5

InChI

InChI=1S/C26H30N4S2/c1-20-18-21(19-25-28(2)23-14-8-9-15-24(23)31-25)27-26(29(20)22-12-6-4-7-13-22)32-30(3)16-10-5-11-17-30/h4,6-9,12-15,18-19H,5,10-11,16-17H2,1-3H3/q+2