1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)thiazol-4-yl]ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-[2-(3,4,5-trimethoxyphenyl)-4-thiazolyl]ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(3,4,5-trimethoxyphenyl)-1,3-thiazol-4-yl]ethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-[2-(3,4,5-trimethoxyphenyl)thiazol-4-yl]ethanone Formula: C23H27N4O4S+ MolecularWeight: 455.54988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC(=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC(=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C23H26N4O4S/c1-29-18-12-16(13-19(30-2)22(18)31-3)23-25-17(15-32-23)14-21(28)27-10-8-26(9-11-27)20-6-4-5-7-24-20/h4-7,12-13,15H,8-11,14H2,1-3H3/p+1