5-methoxy-2-[(E)-2-[(5-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)methyl]but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium iodide

Systemtic Name: 5-methoxy-2-[(E)-2-[(5-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)methyl]but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium iodide Openeye Name: 5-methoxy-2-[(E)-2-[(5-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)methyl]but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium iodide CAS Name: 5-methoxy-2-[(E)-2-[(5-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)methyl]but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium iodide IUPAC Name: 5-methoxy-2-[(E)-2-[(5-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)methyl]but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium iodide Traditional Name: 5-methoxy-2-[(E)-2-[(5-methoxy-3-methyl-2H-1,3-benzothiazol-2-yl)methyl]but-1-enyl]-3-methyl-1,3-benzothiazol-3-ium iodide Formula: C23H27IN2O2S2 MolecularWeight: 554.50715

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)C)CC3N(C4=C(S3)C=CC(=C4)OC)C.[I-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)OC)C)/CC3N(C4=C(S3)C=CC(=C4)OC)C.[I-]

InChI

InChI=1S/C23H27N2O2S2.HI/c1-6-15(11-22-24(2)18-13-16(26-4)7-9-20(18)28-22)12-23-25(3)19-14-17(27-5)8-10-21(19)29-23;/h7-11,13-14,23H,6,12H2,1-5H3;1H/q+1;/p-1/b15-11+;