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

Systemtic Name: (3S)-1-(1-cyclopropylcarbonylpiperidin-4-yl)-N-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[cyclopropyl(oxo)methyl]-4-piperidinyl]-N-[(2-fluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[(2-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(cyclopropanecarbonyl)-4-piperidyl]-N-(2-fluorobenzyl)piperidin-1-ium-3-carboxamide Formula: C22H31FN3O2+ MolecularWeight: 388.498843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CC=CC=C4F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)C(=O)C3CC3)C(=O)NCC4=CC=CC=C4F

InChI

InChI=1S/C22H30FN3O2/c23-20-6-2-1-4-17(20)14-24-21(27)18-5-3-11-26(15-18)19-9-12-25(13-10-19)22(28)16-7-8-16/h1-2,4,6,16,18-19H,3,5,7-15H2,(H,24,27)/p+1/t18-/m0/s1