(3S)-1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidinyl]-N-cyclopropyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-N-cyclopropylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(2-chloro-6-fluoro-benzyl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C21H30ClFN3O+ MolecularWeight: 394.933803

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CCN(CC2)CC3=C(C=CC=C3Cl)F)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCN(CC2)CC3=C(C=CC=C3Cl)F)C(=O)NC4CC4

InChI

InChI=1S/C21H29ClFN3O/c22-19-4-1-5-20(23)18(19)14-25-11-8-17(9-12-25)26-10-2-3-15(13-26)21(27)24-16-6-7-16/h1,4-5,15-17H,2-3,6-14H2,(H,24,27)/p+1/t15-/m0/s1