2-(4-chloranyl-3-methyl-phenoxy)-2-methyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-2-methyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-2-methyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one CAS Name: 2-(4-chloro-3-methylphenoxy)-2-methyl-1-(4-methyl-1-piperazin-4-iumyl)-1-propanone IUPAC Name: 2-(4-chloro-3-methylphenoxy)-2-methyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-2-methyl-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one Formula: C16H24ClN2O2+ MolecularWeight: 311.82696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)(C)C(=O)N2CC[NH+](CC2)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)(C)C(=O)N2CC[NH+](CC2)C)Cl

InChI

InChI=1S/C16H23ClN2O2/c1-12-11-13(5-6-14(12)17)21-16(2,3)15(20)19-9-7-18(4)8-10-19/h5-6,11H,7-10H2,1-4H3/p+1