2-(2-chloranyl-5-methyl-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-chloranyl-5-methyl-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Openeye Name: 2-(2-chloro-5-methyl-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone CAS Name: 2-(2-chloro-5-methylphenoxy)-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-5-methylphenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone Traditional Name: 2-(2-chloro-5-methyl-phenoxy)-1-(4-pyridin-1-ium-4-ylpiperazino)ethanone Formula: C18H21ClN3O2+ MolecularWeight: 346.83124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OCC(=O)N2CCN(CC2)C3=CC=[NH+]C=C3

InChI

InChI=1S/C18H20ClN3O2/c1-14-2-3-16(19)17(12-14)24-13-18(23)22-10-8-21(9-11-22)15-4-6-20-7-5-15/h2-7,12H,8-11,13H2,1H3/p+1