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

Systemtic Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-(3,5-dimethylphenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(=O)NC2=CC=CC=C2N3CC[NH+](CC3)C)C

InChI

InChI=1S/C21H27N3O2/c1-16-12-17(2)14-18(13-16)26-15-21(25)22-19-6-4-5-7-20(19)24-10-8-23(3)9-11-24/h4-7,12-14H,8-11,15H2,1-3H3,(H,22,25)/p+1