3-[4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-2H-1,3-benzothiazole

Systemtic Name: 3-[4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-2H-1,3-benzothiazole Openeye Name: 3-[4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-2H-1,3-benzothiazole CAS Name: 3-[4-[4-(1-butyl-4-pyridin-1-iumyl)-1-pyridin-1-iumyl]butyl]-2H-1,3-benzothiazole IUPAC Name: 3-[4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-2H-1,3-benzothiazole Traditional Name: 3-[4-[4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]-2H-1,3-benzothiazole Formula: C25H31N3S+2 MolecularWeight: 405.59874

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCN3CSC4=CC=CC=C43

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCN3CSC4=CC=CC=C43

InChI

InChI=1S/C25H31N3S/c1-2-3-14-26-17-10-22(11-18-26)23-12-19-27(20-13-23)15-6-7-16-28-21-29-25-9-5-4-8-24(25)28/h4-5,8-13,17-20H,2-3,6-7,14-16,21H2,1H3/q+2