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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

Isomeric SMILES

C1CC1NC(=O)C2CC[NH+](CC2)C3CC[NH+](CC3)CC4=C(C=C(C=C4)F)Cl

InChI

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