4-(3,4-dimethoxyphenyl)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-thiazole

Systemtic Name: 4-(3,4-dimethoxyphenyl)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-thiazole Openeye Name: 4-(3,4-dimethoxyphenyl)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]thiazole CAS Name: 4-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-4-quinolin-1-iumyl)-1-piperazinyl]thiazole IUPAC Name: 4-(3,4-dimethoxyphenyl)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazin-1-yl]-1,3-thiazole Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[4-(2-methylquinolin-1-ium-4-yl)piperazino]thiazole Formula: C25H27N4O2S+ MolecularWeight: 447.57248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC(=C(C=C5)OC)OC

Isomeric SMILES

CC1=[NH+]C2=CC=CC=C2C(=C1)N3CCN(CC3)C4=NC(=CS4)C5=CC(=C(C=C5)OC)OC

InChI

InChI=1S/C25H26N4O2S/c1-17-14-22(19-6-4-5-7-20(19)26-17)28-10-12-29(13-11-28)25-27-21(16-32-25)18-8-9-23(30-2)24(15-18)31-3/h4-9,14-16H,10-13H2,1-3H3/p+1