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

Systemtic Name: 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(4-methoxyphenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(4-methoxyphenyl)-4-thiazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(4-methoxyphenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C21H23N4O2S+ MolecularWeight: 395.49792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-27-18-7-5-16(6-8-18)21-23-17(15-28-21)14-20(26)25-12-10-24(11-13-25)19-4-2-3-9-22-19/h2-9,15H,10-14H2,1H3/p+1