3-[3-(1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-[3-(1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium Openeye Name: 3-[3-(1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium CAS Name: 3-[3-(1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-[3-(1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium Traditional Name: 3-[3-(1,3-benzothiazol-3-ium-3-yl)propyl]-1,3-benzothiazol-3-ium Formula: C17H16N2S2+2 MolecularWeight: 312.45234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCC[N+]3=CSC4=CC=CC=C43

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCC[N+]3=CSC4=CC=CC=C43

InChI

InChI=1S/C17H16N2S2/c1-3-8-16-14(6-1)18(12-20-16)10-5-11-19-13-21-17-9-4-2-7-15(17)19/h1-4,6-9,12-13H,5,10-11H2/q+2