ethyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-phenyl-pyridin-1-ium-2-yl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]carbonyl-6-phenyl-pyridin-1-ium-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-phenyl-pyridin-1-ium-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[[4-(4-fluorophenyl)-1-piperazinyl]-oxomethyl]-6-phenyl-2-pyridin-1-iumyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-phenylpyridin-1-ium-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-phenyl-pyridin-1-ium-2-yl]isonipecotic acid ethyl ester Formula: C30H34FN4O3+ MolecularWeight: 517.614363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=[NH+]2)C3=CC=CC=C3)C(=O)N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H33FN4O3/c1-2-38-30(37)23-14-16-34(17-15-23)28-26(12-13-27(32-28)22-6-4-3-5-7-22)29(36)35-20-18-33(19-21-35)25-10-8-24(31)9-11-25/h3-13,23H,2,14-21H2,1H3/p+1