ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-(1H-benzimidazol-2-ylmethyl)-4-[(3-fluorophenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-[(3-fluorophenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(1H-benzimidazol-2-ylmethyl)-4-(3-fluorobenzyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C23H27FN3O2+ MolecularWeight: 396.477783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=NC3=CC=CC=C3N2)CC4=CC(=CC=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-2-29-22(28)23(15-17-6-5-7-18(24)14-17)10-12-27(13-11-23)16-21-25-19-8-3-4-9-20(19)26-21/h3-9,14H,2,10-13,15-16H2,1H3,(H,25,26)/p+1