2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)-1,3-benzothiazole CAS Name: 2-[4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-(1-benzyl-4,6-diphenylpyridin-1-ium-2-yl)-1,3-benzothiazole Traditional Name: 2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)-1,3-benzothiazole Formula: C31H23N2S+ MolecularWeight: 455.59272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2C3=NC4=CC=CC=C4S3)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H23N2S/c1-4-12-23(13-5-1)22-33-28(25-16-8-3-9-17-25)20-26(24-14-6-2-7-15-24)21-29(33)31-32-27-18-10-11-19-30(27)34-31/h1-21H,22H2/q+1