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

Systemtic Name: N-[5-chloranyl-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenoxy)ethanamide Openeye Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide CAS Name: N-[5-chloro-2-(4-methyl-1-piperazin-4-iumyl)phenyl]-2-(3,4-dimethylphenoxy)acetamide IUPAC Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide Traditional Name: N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3,4-dimethylphenoxy)acetamide Formula: C21H27ClN3O2+ MolecularWeight: 388.91098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2/c1-15-4-6-18(12-16(15)2)27-14-21(26)23-19-13-17(22)5-7-20(19)25-10-8-24(3)9-11-25/h4-7,12-13H,8-11,14H2,1-3H3,(H,23,26)/p+1