3-(1-ethyl-6-methyl-quinolin-1-ium-2-yl)-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazole

Systemtic Name: 3-(1-ethyl-6-methyl-quinolin-1-ium-2-yl)-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazole Openeye Name: 3-(1-ethyl-6-methyl-quinolin-1-ium-2-yl)-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazole CAS Name: 3-(1-ethyl-6-methyl-2-quinolin-1-iumyl)-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazole IUPAC Name: 3-(1-ethyl-6-methylquinolin-1-ium-2-yl)-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazole Traditional Name: 3-(1-ethyl-6-methyl-quinolin-1-ium-2-yl)-1,2-dihydropyrrolo[2,1-b][1,3]benzothiazole Formula: C22H21N2S+ MolecularWeight: 345.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C3=C4N(CC3)C5=CC=CC=C5S4

Isomeric SMILES

CC[N+]1=C(C=CC2=C1C=CC(=C2)C)C3=C4N(CC3)C5=CC=CC=C5S4

InChI

InChI=1S/C22H21N2S/c1-3-23-18-10-8-15(2)14-16(18)9-11-19(23)17-12-13-24-20-6-4-5-7-21(20)25-22(17)24/h4-11,14H,3,12-13H2,1-2H3/q+1