2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(3,4-dimethoxyphenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C22H25N4O3S+ MolecularWeight: 425.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC(=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4)OC

InChI

InChI=1S/C22H24N4O3S/c1-28-18-7-6-16(13-19(18)29-2)22-24-17(15-30-22)14-21(27)26-11-9-25(10-12-26)20-5-3-4-8-23-20/h3-8,13,15H,9-12,14H2,1-2H3/p+1