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

Systemtic Name: 3-bromanyl-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide Openeye Name: 3-bromo-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide CAS Name: 3-bromo-N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]benzamide IUPAC Name: 3-bromo-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzamide Traditional Name: 3-bromo-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]benzamide Formula: C26H28BrN6O+ MolecularWeight: 520.44412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27BrN6O/c1-31-23-9-8-21(29-26(34)19-5-4-6-20(27)17-19)18-22(23)30-25(31)10-12-32-13-15-33(16-14-32)24-7-2-3-11-28-24/h2-9,11,17-18H,10,12-16H2,1H3,(H,29,34)/p+1