N-[2-(3-methylphenoxy)ethyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)OCCNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-18-6-5-9-20(16-18)26-15-10-22-21(25)17-23-11-13-24(14-12-23)19-7-3-2-4-8-19/h2-9,16H,10-15,17H2,1H3,(H,22,25)/p+1