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

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-[2-(3-fluorophenyl)ethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-[2-(3-fluorophenyl)ethyl]piperidin-1-ium-3-carboxamide Formula: C23H33FN3O2+ MolecularWeight: 402.525423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCCC4=CC(=CC=C4)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCCC4=CC(=CC=C4)F

InChI

InChI=1S/C23H32FN3O2/c24-20-5-1-3-17(15-20)8-11-25-22(28)19-4-2-12-27(16-19)21-9-13-26(14-10-21)23(29)18-6-7-18/h1,3,5,15,18-19,21H,2,4,6-14,16H2,(H,25,28)/p+1/t19-/m0/s1