ethyl 4-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-fluorobenzyl)piperidin-1-ium-4-carbonyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H29FN3O3+ MolecularWeight: 378.460963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H28FN3O3/c1-2-27-20(26)24-13-11-23(12-14-24)19(25)17-7-9-22(10-8-17)15-16-3-5-18(21)6-4-16/h3-6,17H,2,7-15H2,1H3/p+1