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

Systemtic Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide Openeye Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide CAS Name: N-[1-methyl-2-[2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-5-benzimidazolyl]propanamide IUPAC Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide Traditional Name: N-[1-methyl-2-[2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]benzimidazol-5-yl]propionamide Formula: C22H29N6O+ MolecularWeight: 393.50526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O/c1-3-22(29)24-17-7-8-19-18(16-17)25-21(26(19)2)9-11-27-12-14-28(15-13-27)20-6-4-5-10-23-20/h4-8,10,16H,3,9,11-15H2,1-2H3,(H,24,29)/p+1