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

Systemtic Name: 2-[1-(phenylmethyl)pyridin-1-ium-4-yl]-1,3-benzothiazole Openeye Name: 2-(1-benzylpyridin-1-ium-4-yl)-1,3-benzothiazole CAS Name: 2-[1-(phenylmethyl)-4-pyridin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-(1-benzylpyridin-1-ium-4-yl)-1,3-benzothiazole Traditional Name: 2-(1-benzylpyridin-1-ium-4-yl)-1,3-benzothiazole Formula: C19H15N2S+ MolecularWeight: 303.4008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N2S/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/q+1