(3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluorophenyl)methyl]-3-oxidanyl-piperidin-2-one

Systemtic Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluorophenyl)methyl]-3-oxidanyl-piperidin-2-one Openeye Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluorophenyl)methyl]-3-hydroxy-piperidin-2-one CAS Name: (3S)-3-(1-azocan-1-iumylmethyl)-1-[(2-fluorophenyl)methyl]-3-hydroxy-2-piperidinone IUPAC Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-[(2-fluorophenyl)methyl]-3-hydroxypiperidin-2-one Traditional Name: (3S)-3-(azocan-1-ium-1-ylmethyl)-1-(2-fluorobenzyl)-3-hydroxy-2-piperidone Formula: C20H30FN2O2+ MolecularWeight: 349.462803

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2(CCCN(C2=O)CC3=CC=CC=C3F)O

Isomeric SMILES

C1CCC[NH+](CCC1)C[C@]2(CCCN(C2=O)CC3=CC=CC=C3F)O

InChI

InChI=1S/C20H29FN2O2/c21-18-10-5-4-9-17(18)15-23-14-8-11-20(25,19(23)24)16-22-12-6-2-1-3-7-13-22/h4-5,9-10,25H,1-3,6-8,11-16H2/p+1/t20-/m0/s1