ethyl 4-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-3-oxidanidyl-imidazol-3-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-3-oxido-imidazol-3-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[5-(2-acetamido-4-pyridinyl)-4-(4-fluorophenyl)-3-oxido-1-imidazol-3-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-3-oxidoimidazol-3-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[5-(2-acetamido-4-pyridyl)-4-(4-fluorophenyl)-3-oxido-imidazol-3-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C24H26FN5O4 MolecularWeight: 467.492743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)N2C=[N+](C(=C2C3=CC(=NC=C3)NC(=O)C)C4=CC=C(C=C4)F)[O-]

Isomeric SMILES

CCOC(=O)N1CCC(CC1)N2C=[N+](C(=C2C3=CC(=NC=C3)NC(=O)C)C4=CC=C(C=C4)F)[O-]

InChI

InChI=1S/C24H26FN5O4/c1-3-34-24(32)28-12-9-20(10-13-28)29-15-30(33)23(17-4-6-19(25)7-5-17)22(29)18-8-11-26-21(14-18)27-16(2)31/h4-8,11,14-15,20H,3,9-10,12-13H2,1-2H3,(H,26,27,31)