2-(3,4-dimethoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole

Systemtic Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Openeye Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole CAS Name: 2-(3,4-dimethoxyphenyl)-4-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]thiazole IUPAC Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-thiazole Traditional Name: 2-(3,4-dimethoxyphenyl)-4-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]thiazole Formula: C21H26N4O2S+2 MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)C[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C21H24N4O2S/c1-26-18-7-6-16(13-19(18)27-2)21-23-17(15-28-21)14-24-9-11-25(12-10-24)20-5-3-4-8-22-20/h3-8,13,15H,9-12,14H2,1-2H3/p+2