1-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)-1-(2-pyrimidin-2-yloxyethyl)benzimidazol-1-ium

Systemtic Name: 1-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)-1-(2-pyrimidin-2-yloxyethyl)benzimidazol-1-ium Openeye Name: 1-(2-furylmethyl)-2-(4-piperidylmethyl)-1-(2-pyrimidin-2-yloxyethyl)benzimidazol-1-ium CAS Name: 1-(2-furanylmethyl)-2-(4-piperidinylmethyl)-1-[2-(2-pyrimidinyloxy)ethyl]benzimidazol-1-ium IUPAC Name: 1-(furan-2-ylmethyl)-2-(piperidin-4-ylmethyl)-1-(2-pyrimidin-2-yloxyethyl)benzimidazol-1-ium Traditional Name: 1-(2-furfuryl)-2-(4-piperidylmethyl)-1-[2-(2-pyrimidyloxy)ethyl]benzimidazol-1-ium Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=NC3=CC=CC=C3[N+]2(CCOC4=NC=CC=N4)CC5=CC=CO5

Isomeric SMILES

C1CNCCC1CC2=NC3=CC=CC=C3[N+]2(CCOC4=NC=CC=N4)CC5=CC=CO5

InChI

InChI=1S/C24H28N5O2/c1-2-7-22-21(6-1)28-23(17-19-8-12-25-13-9-19)29(22,18-20-5-3-15-30-20)14-16-31-24-26-10-4-11-27-24/h1-7,10-11,15,19,25H,8-9,12-14,16-18H2/q+1