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

Systemtic Name: (2R)-2-(benzimidazol-1-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Openeye Name: (2R)-2-(benzimidazol-1-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide CAS Name: (2R)-2-(1-benzimidazolyl)-N-[[2-(4-methyl-1-piperazin-4-iumyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: (2R)-2-(benzimidazol-1-yl)-N-[[2-(4-methylpiperazin-4-ium-1-yl)pyridin-1-ium-3-yl]methyl]propanamide Traditional Name: (2R)-2-(benzimidazol-1-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:

CC(C(=O)NCC1=C([NH+]=CC=C1)N2CC[NH+](CC2)C)N3C=NC4=CC=CC=C43

Isomeric SMILES

C[C@H](C(=O)NCC1=C([NH+]=CC=C1)N2CC[NH+](CC2)C)N3C=NC4=CC=CC=C43

InChI

InChI=1S/C21H26N6O/c1-16(27-15-24-18-7-3-4-8-19(18)27)21(28)23-14-17-6-5-9-22-20(17)26-12-10-25(2)11-13-26/h3-9,15-16H,10-14H2,1-2H3,(H,23,28)/p+2/t16-/m1/s1