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

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]-2-furancarboxamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]furan-2-carboxamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]-2-furamide Formula: C24H27N6O2+ MolecularWeight: 431.51018

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=CO3)N=C1CCN4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H26N6O2/c1-28-20-8-7-18(26-24(31)21-5-4-16-32-21)17-19(20)27-23(28)9-11-29-12-14-30(15-13-29)22-6-2-3-10-25-22/h2-8,10,16-17H,9,11-15H2,1H3,(H,26,31)/p+1