N-[1-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(3-methylphenoxy)ethanamide

Systemtic Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide CAS Name: N-[1-methyl-2-[2-(4-methyl-1-piperazin-1-iumyl)ethyl]-5-benzimidazolyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[1-methyl-2-[2-(4-methylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]-2-(3-methylphenoxy)acetamide Formula: C24H32N5O2+ MolecularWeight: 422.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CC[NH+]4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CC[NH+]4CCN(CC4)C)C

InChI

InChI=1S/C24H31N5O2/c1-18-5-4-6-20(15-18)31-17-24(30)25-19-7-8-22-21(16-19)26-23(28(22)3)9-10-29-13-11-27(2)12-14-29/h4-8,15-16H,9-14,17H2,1-3H3,(H,25,30)/p+1