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

Systemtic Name: 2-(1H-imidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzamide Openeye Name: 2-(1H-imidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzamide CAS Name: 2-(1H-imidazol-2-yl)-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]benzamide IUPAC Name: 2-(1H-imidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzamide Traditional Name: 2-(1H-imidazol-2-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]benzamide Formula: C21H26N6O+2 MolecularWeight: 378.47074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=CC=C3C4=NC=CN4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=CC=[NH+]2)CNC(=O)C3=CC=CC=C3C4=NC=CN4

InChI

InChI=1S/C21H24N6O/c1-26-11-13-27(14-12-26)20-16(5-4-8-24-20)15-25-21(28)18-7-3-2-6-17(18)19-22-9-10-23-19/h2-10H,11-15H2,1H3,(H,22,23)(H,25,28)/p+2