N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide Formula: C20H25ClN3O2+ MolecularWeight: 374.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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