ethyl 4-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-[(3-fluorophenyl)methyl]-3-piperidin-1-iumyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(3-fluorobenzyl)piperidin-1-ium-3-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)C2CCC[NH+](C2)CC3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H28FN3O3/c1-2-27-20(26)24-11-9-23(10-12-24)19(25)17-6-4-8-22(15-17)14-16-5-3-7-18(21)13-16/h3,5,7,13,17H,2,4,6,8-12,14-15H2,1H3/p+1/t17-/m0/s1