2-(4-chloranyl-2-methyl-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(4-chloranyl-2-methyl-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-2-methyl-phenoxy)acetamide CAS Name: 2-(4-chloro-2-methylphenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-2-methylphenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-chloro-2-methyl-phenoxy)acetamide Formula: C26H29ClN3O2+ MolecularWeight: 450.98036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3O2/c1-20-17-22(27)7-12-25(20)32-19-26(31)28-23-8-10-24(11-9-23)30-15-13-29(14-16-30)18-21-5-3-2-4-6-21/h2-12,17H,13-16,18-19H2,1H3,(H,28,31)/p+1