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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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