2-[1-(phenylmethyl)pyridin-1-ium-4-yl]-1,3-benzothiazole bromide

Systemtic Name: 2-[1-(phenylmethyl)pyridin-1-ium-4-yl]-1,3-benzothiazole bromide Openeye Name: 2-(1-benzylpyridin-1-ium-4-yl)-1,3-benzothiazole bromide CAS Name: 2-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1,3-benzothiazole bromide IUPAC Name: 2-(1-benzylpyridin-1-ium-4-yl)-1,3-benzothiazole bromide Traditional Name: 2-(1-benzylpyridin-1-ium-4-yl)-1,3-benzothiazole bromide Formula: C19H15BrN2S MolecularWeight: 383.3048

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4S3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=NC4=CC=CC=C4S3.[Br-]

InChI

InChI=1S/C19H15N2S.BrH/c1-2-6-15(7-3-1)14-21-12-10-16(11-13-21)19-20-17-8-4-5-9-18(17)22-19;/h1-13H,14H2;1H/q+1;/p-1