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

Systemtic Name: 2-(4-methylphenoxy)-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]ethanamide Openeye Name: 2-(4-methylphenoxy)-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]acetamide CAS Name: 2-(4-methylphenoxy)-N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]ethyl]-5-benzimidazolyl]acetamide IUPAC Name: 2-(4-methylphenoxy)-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]acetamide Traditional Name: 2-(4-methylphenoxy)-N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethyl]benzimidazol-5-yl]acetamide Formula: C28H34N6O2+2 MolecularWeight: 486.60856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CC[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2)N(C(=N3)CC[NH+]4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

InChI=1S/C28H32N6O2/c1-21-6-9-23(10-7-21)36-20-28(35)30-22-8-11-25-24(19-22)31-27(32(25)2)12-14-33-15-17-34(18-16-33)26-5-3-4-13-29-26/h3-11,13,19H,12,14-18,20H2,1-2H3,(H,30,35)/p+2