2-(1-ethyl-2,3-dimethyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole

Systemtic Name: 2-(1-ethyl-2,3-dimethyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole Openeye Name: 2-(1-ethyl-2,3-dimethyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole CAS Name: 2-(1-ethyl-2,3-dimethyl-5-benzimidazol-1-iumyl)-1,3-benzothiazole IUPAC Name: 2-(1-ethyl-2,3-dimethylbenzimidazol-1-ium-5-yl)-1,3-benzothiazole Traditional Name: 2-(1-ethyl-2,3-dimethyl-benzimidazol-1-ium-5-yl)-1,3-benzothiazole Formula: C18H18N3S+ MolecularWeight: 308.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(N(C2=C1C=CC(=C2)C3=NC4=CC=CC=C4S3)C)C

Isomeric SMILES

CC[N+]1=C(N(C2=C1C=CC(=C2)C3=NC4=CC=CC=C4S3)C)C

InChI

InChI=1S/C18H18N3S/c1-4-21-12(2)20(3)16-11-13(9-10-15(16)21)18-19-14-7-5-6-8-17(14)22-18/h5-11H,4H2,1-3H3/q+1