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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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