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

Systemtic Name: (3S)-1-[1-[(4-chloranyl-3-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[1-[(4-chloro-3-fluoro-phenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(4-chloro-3-fluorophenyl)methyl]-4-piperidin-1-iumyl]-N-cyclopropyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-1-ium-4-yl]-N-cyclopropylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[1-(4-chloro-3-fluoro-benzyl)piperidin-1-ium-4-yl]-N-cyclopropyl-piperidin-1-ium-3-carboxamide Formula: C21H31ClFN3O+2 MolecularWeight: 395.941743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)F)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)CC3=CC(=C(C=C3)Cl)F)C(=O)NC4CC4

InChI

InChI=1S/C21H29ClFN3O/c22-19-6-3-15(12-20(19)23)13-25-10-7-18(8-11-25)26-9-1-2-16(14-26)21(27)24-17-4-5-17/h3,6,12,16-18H,1-2,4-5,7-11,13-14H2,(H,24,27)/p+2/t16-/m0/s1