3-(1H-benzimidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide

Systemtic Name: 3-(1H-benzimidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: 3-(1H-benzimidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide CAS Name: 3-(1H-benzimidazol-2-yl)-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: 3-(1H-benzimidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propionamide Formula: C21H28N6O+2 MolecularWeight: 380.48662

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H26N6O/c1-26-11-13-27(14-12-26)21-16(5-4-10-22-21)15-23-20(28)9-8-19-24-17-6-2-3-7-18(17)25-19/h2-7,10H,8-9,11-15H2,1H3,(H,23,28)(H,24,25)/p+2