3-[5-methoxy-2-[3-[5-methoxy-3-(3-oxidanylpropyl)-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]propan-1-ol bromide

Systemtic Name: 3-[5-methoxy-2-[3-[5-methoxy-3-(3-oxidanylpropyl)-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-1,3-benzothiazol-3-yl]propan-1-ol bromide Openeye Name: 3-[2-[3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-5-methoxy-1,3-benzothiazol-3-yl]propan-1-ol bromide CAS Name: 3-[2-[3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-5-methoxy-1,3-benzothiazol-3-yl]-1-propanol bromide IUPAC Name: 3-[2-[3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-3-ium-2-yl]-2-methylprop-2-enylidene]-5-methoxy-1,3-benzothiazol-3-yl]propan-1-ol bromide Traditional Name: 3-[2-[3-[3-(3-hydroxypropyl)-5-methoxy-1,3-benzothiazol-3-ium-2-yl]-2-methyl-prop-2-enylidene]-5-methoxy-1,3-benzothiazol-3-yl]propan-1-ol bromide Formula: C26H31BrN2O4S2 MolecularWeight: 579.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCO)C=C3N(C4=C(S3)C=CC(=C4)OC)CCCO.[Br-]

Isomeric SMILES

CC(=CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCCO)C=C3N(C4=C(S3)C=CC(=C4)OC)CCCO.[Br-]

InChI

InChI=1S/C26H31N2O4S2.BrH/c1-18(14-25-27(10-4-12-29)21-16-19(31-2)6-8-23(21)33-25)15-26-28(11-5-13-30)22-17-20(32-3)7-9-24(22)34-26;/h6-9,14-17,29-30H,4-5,10-13H2,1-3H3;1H/q+1;/p-1