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

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]ethanamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]acetamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]acetamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]acetamide Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCN(CC3)C4=CC=CC=[NH+]4)C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=N2)CCN3CCN(CC3)C4=CC=CC=[NH+]4)C

InChI

InChI=1S/C21H26N6O/c1-16(28)23-17-6-7-19-18(15-17)24-21(25(19)2)8-10-26-11-13-27(14-12-26)20-5-3-4-9-22-20/h3-7,9,15H,8,10-14H2,1-2H3,(H,23,28)/p+1