ethyl 4-[[1-[(3-fluorophenyl)methyl]benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[[1-[(3-fluorophenyl)methyl]benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[1-[(3-fluorophenyl)methyl]benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate CAS Name: 4-[[1-[(3-fluorophenyl)methyl]-1-benzimidazol-1-iumyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[1-[(3-fluorophenyl)methyl]benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylate Traditional Name: 4-[[1-(3-fluorobenzyl)benzimidazol-1-ium-1-yl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N[N+]2(C=NC3=CC=CC=C32)CC4=CC(=CC=C4)F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N[N+]2(C=NC3=CC=CC=C32)CC4=CC(=CC=C4)F

InChI

InChI=1S/C22H26FN4O2/c1-2-29-22(28)26-12-10-19(11-13-26)25-27(15-17-6-5-7-18(23)14-17)16-24-20-8-3-4-9-21(20)27/h3-9,14,16,19,25H,2,10-13,15H2,1H3/q+1