(2E)-3-methyl-2-[[1-(phenylmethyl)quinolin-1-ium-4-yl]methylidene]-1,3-benzothiazole-5-sulfonate

Systemtic Name: (2E)-3-methyl-2-[[1-(phenylmethyl)quinolin-1-ium-4-yl]methylidene]-1,3-benzothiazole-5-sulfonate Openeye Name: (2E)-2-[(1-benzylquinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole-5-sulfonate CAS Name: (2E)-3-methyl-2-[[1-(phenylmethyl)-4-quinolin-1-iumyl]methylidene]-1,3-benzothiazole-5-sulfonate IUPAC Name: (2E)-2-[(1-benzylquinolin-1-ium-4-yl)methylidene]-3-methyl-1,3-benzothiazole-5-sulfonate Traditional Name: (2E)-2-[(1-benzylquinolin-1-ium-4-yl)methylene]-3-methyl-1,3-benzothiazole-5-sulfonate Formula: C25H20N2O3S2 MolecularWeight: 460.5679

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)S(=O)(=O)[O-])SC1=CC3=CC=[N+](C4=CC=CC=C34)CC5=CC=CC=C5

Isomeric SMILES

CN\1C2=C(C=CC(=C2)S(=O)(=O)[O-])S/C1=C/C3=CC=[N+](C4=CC=CC=C34)CC5=CC=CC=C5

InChI

InChI=1S/C25H20N2O3S2/c1-26-23-16-20(32(28,29)30)11-12-24(23)31-25(26)15-19-13-14-27(17-18-7-3-2-4-8-18)22-10-6-5-9-21(19)22/h2-16H,17H2,1H3