(3S)-N-[2-(3-fluorophenyl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(1-propan-2-yl-4-piperidinyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(1-propan-2-ylpiperidin-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[2-(3-fluorophenyl)ethyl]-1-(1-isopropyl-4-piperidyl)piperidin-1-ium-3-carboxamide Formula: C22H35FN3O+ MolecularWeight: 376.531203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC(=CC=C3)F

Isomeric SMILES

CC(C)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C22H34FN3O/c1-17(2)25-13-9-21(10-14-25)26-12-4-6-19(16-26)22(27)24-11-8-18-5-3-7-20(23)15-18/h3,5,7,15,17,19,21H,4,6,8-14,16H2,1-2H3,(H,24,27)/p+1/t19-/m0/s1