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

Systemtic Name: 2-[2-[(3-chlorophenyl)amino]-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[2-(3-chloroanilino)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[2-(3-chloroanilino)-4-thiazolyl]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[2-(3-chloroanilino)thiazol-4-yl]-1-(4-pyridin-1-ium-2-ylpiperazino)ethanone Formula: C20H21ClN5OS+ MolecularWeight: 414.93164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CSC(=N3)NC4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC3=CSC(=N3)NC4=CC(=CC=C4)Cl

InChI

InChI=1S/C20H20ClN5OS/c21-15-4-3-5-16(12-15)23-20-24-17(14-28-20)13-19(27)26-10-8-25(9-11-26)18-6-1-2-7-22-18/h1-7,12,14H,8-11,13H2,(H,23,24)/p+1