3-[2-(2-methoxyethoxy)ethyl]-2-[7-[3-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]heptyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[2-(2-methoxyethoxy)ethyl]-2-[7-[3-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]heptyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[2-(2-methoxyethoxy)ethyl]-2-[7-[3-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]heptyl]-1,3-benzothiazol-3-ium CAS Name: 3-[2-(2-methoxyethoxy)ethyl]-2-[7-[3-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]heptyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[2-(2-methoxyethoxy)ethyl]-2-[7-[3-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]heptyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[2-(2-methoxyethoxy)ethyl]-2-[7-[3-[2-(2-methoxyethoxy)ethyl]-1,3-benzothiazol-3-ium-2-yl]heptyl]-1,3-benzothiazol-3-ium Formula: C31H44N2O4S2+2 MolecularWeight: 572.82206

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCC[N+]1=C(SC2=CC=CC=C21)CCCCCCCC3=[N+](C4=CC=CC=C4S3)CCOCCOC

Isomeric SMILES

COCCOCC[N+]1=C(SC2=CC=CC=C21)CCCCCCCC3=[N+](C4=CC=CC=C4S3)CCOCCOC

InChI

InChI=1S/C31H44N2O4S2/c1-34-22-24-36-20-18-32-26-12-8-10-14-28(26)38-30(32)16-6-4-3-5-7-17-31-33(19-21-37-25-23-35-2)27-13-9-11-15-29(27)39-31/h8-15H,3-7,16-25H2,1-2H3/q+2