N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)Cl

InChI

InChI=1S/C20H24ClN3O2/c1-15-4-3-5-17(12-15)26-14-20(25)22-16-6-7-19(18(21)13-16)24-10-8-23(2)9-11-24/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1