N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]benzamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]benzamide Formula: C26H29N6O+ MolecularWeight: 441.54806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3)N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H28N6O/c1-30-23-11-10-21(28-26(33)20-7-3-2-4-8-20)19-22(23)29-25(30)12-14-31-15-17-32(18-16-31)24-9-5-6-13-27-24/h2-11,13,19H,12,14-18H2,1H3,(H,28,33)/p+1