2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidin-1-iumyl]methyl]-1H-benzimidazole IUPAC Name: 2-[[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-ium-1-yl]methyl]-1H-benzimidazole Formula: C23H31N5+2 MolecularWeight: 377.52574

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CC[NH+](C2)CC3=NC4=CC=CC=C4N3)CC5=CN=CC=C5

Isomeric SMILES

C1C[NH+](C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H29N5/c1-2-6-22-21(5-1)25-23(26-22)17-28-13-9-20(16-28)19-7-11-27(12-8-19)15-18-4-3-10-24-14-18/h1-6,10,14,19-20H,7-9,11-13,15-17H2,(H,25,26)/p+2/t20-/m0/s1