ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(pyridin-3-ylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(pyridin-3-ylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(3-pyridylmethyl)piperidin-1-ium-1-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(3-pyridinylmethyl)-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(pyridin-3-ylmethyl)piperidin-1-ium-1-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(3-pyridylmethyl)piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)CC2=CN=CC=C2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)CC2=CN=CC=C2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H27N4O2/c1-2-28-22(27)26(16-21-24-19-7-3-4-8-20(19)25-21)12-9-17(10-13-26)14-18-6-5-11-23-15-18/h3-8,11,15,17H,2,9-10,12-14,16H2,1H3,(H,24,25)/q+1