3-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide

Systemtic Name: 3-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Openeye Name: 3-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide CAS Name: 3-ethoxy-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 3-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Traditional Name: 3-ethoxy-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)OCC

InChI

InChI=1S/C21H27N3O2/c1-3-23-12-14-24(15-13-23)19-10-8-18(9-11-19)22-21(25)17-6-5-7-20(16-17)26-4-2/h5-11,16H,3-4,12-15H2,1-2H3,(H,22,25)/p+1