ethyl 4-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Openeye Name: ethyl 4-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate CAS Name: 4-[(3S)-3-[4-(2-fluorophenyl)-1-piperazinyl]-1-piperidin-1-iumyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-ium-1-yl]piperidine-1-carboxylate Traditional Name: 4-[(3S)-3-[4-(2-fluorophenyl)piperazino]piperidin-1-ium-1-yl]piperidine-1-carboxylic acid ethyl ester Formula: C23H36FN4O2+ MolecularWeight: 419.555943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)[NH+]2CCCC(C2)N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCOC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C23H35FN4O2/c1-2-30-23(29)27-12-9-19(10-13-27)28-11-5-6-20(18-28)25-14-16-26(17-15-25)22-8-4-3-7-21(22)24/h3-4,7-8,19-20H,2,5-6,9-18H2,1H3/p+1/t20-/m0/s1