ethyl 1-[1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[1-[4-[[(2-fluorophenyl)methylamino]-oxomethyl]phenyl]-4-piperidinyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[1-[4-[(2-fluorophenyl)methylcarbamoyl]phenyl]piperidin-4-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[1-[4-[(2-fluorobenzyl)carbamoyl]phenyl]-4-piperidyl]piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H35FN3O3+ MolecularWeight: 468.583503

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)C1CC[NH+](CC1)C2CCN(CC2)C3=CC=C(C=C3)C(=O)NCC4=CC=CC=C4F

InChI

InChI=1S/C27H34FN3O3/c1-2-34-27(33)21-11-15-30(16-12-21)24-13-17-31(18-14-24)23-9-7-20(8-10-23)26(32)29-19-22-5-3-4-6-25(22)28/h3-10,21,24H,2,11-19H2,1H3,(H,29,32)/p+1