2-[(1E)-1-(1-phenyl-2H-pyridin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole

Systemtic Name: 2-[(1E)-1-(1-phenyl-2H-pyridin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole Openeye Name: 2-[(1E)-1-(1-phenyl-2H-pyridin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole CAS Name: 2-[(1E)-1-(1-phenyl-2H-pyridin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole IUPAC Name: 2-[(1E)-1-(1-phenyl-2H-pyridin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole Traditional Name: 2-[(1E)-1-(1-phenyl-2H-pyridin-1-ium-3-ylidene)ethyl]-1,3-benzothiazole Formula: C20H17N2S+ MolecularWeight: 317.42738

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C[N+](=CC=C1)C2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C/C(=C/1\C[N+](=CC=C1)C2=CC=CC=C2)/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N2S/c1-15(20-21-18-11-5-6-12-19(18)23-20)16-8-7-13-22(14-16)17-9-3-2-4-10-17/h2-13H,14H2,1H3/q+1/b16-15+