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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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