1-(phenylmethyl)-2-(piperidin-4-ylmethyl)-1-(pyridin-3-ylmethyl)benzimidazol-1-ium

Systemtic Name: 1-(phenylmethyl)-2-(piperidin-4-ylmethyl)-1-(pyridin-3-ylmethyl)benzimidazol-1-ium Openeye Name: 1-benzyl-2-(4-piperidylmethyl)-1-(3-pyridylmethyl)benzimidazol-1-ium CAS Name: 1-(phenylmethyl)-2-(4-piperidinylmethyl)-1-(3-pyridinylmethyl)benzimidazol-1-ium IUPAC Name: 1-benzyl-2-(piperidin-4-ylmethyl)-1-(pyridin-3-ylmethyl)benzimidazol-1-ium Traditional Name: 1-benzyl-2-(4-piperidylmethyl)-1-(3-pyridylmethyl)benzimidazol-1-ium Formula: C26H29N4+ MolecularWeight: 397.53526

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CC2=NC3=CC=CC=C3[N+]2(CC4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

C1CNCCC1CC2=NC3=CC=CC=C3[N+]2(CC4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C26H29N4/c1-2-7-22(8-3-1)19-30(20-23-9-6-14-28-18-23)25-11-5-4-10-24(25)29-26(30)17-21-12-15-27-16-13-21/h1-11,14,18,21,27H,12-13,15-17,19-20H2/q+1