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

Systemtic Name: 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(4-isopropylphenyl)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(4-propan-2-ylphenyl)-4-thiazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-p-cumenylthiazol-4-yl)-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4OS/c1-17(2)18-6-8-19(9-7-18)23-25-20(16-29-23)15-22(28)27-13-11-26(12-14-27)21-5-3-4-10-24-21/h3-10,16-17H,11-15H2,1-2H3/p+1