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

Systemtic Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]-2-phenoxy-ethanamide Openeye Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]-2-phenoxy-acetamide CAS Name: N-[1-methyl-2-[(4-methyl-1-piperazin-4-iumyl)methyl]-5-benzimidazolyl]-2-phenoxyacetamide IUPAC Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]-2-phenoxyacetamide Traditional Name: N-[1-methyl-2-[(4-methylpiperazin-4-ium-1-yl)methyl]benzimidazol-5-yl]-2-phenoxy-acetamide Formula: C22H28N5O2+ MolecularWeight: 394.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NC3=C(N2C)C=CC(=C3)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-25-10-12-27(13-11-25)15-21-24-19-14-17(8-9-20(19)26(21)2)23-22(28)16-29-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,28)/p+1