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

Systemtic Name: 1-[1-(2-chloranyl-6-fluoranyl-phenyl)carbonylpiperidin-4-yl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(2-chloro-6-fluoro-benzoyl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)-oxomethyl]-4-piperidinyl]-N-cyclopropyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-N-cyclopropylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(2-chloro-6-fluoro-benzoyl)-4-piperidyl]-N-cyclopropyl-piperidin-1-ium-4-carboxamide Formula: C21H28ClFN3O2+ MolecularWeight: 408.917323

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CC1NC(=O)C2CC[NH+](CC2)C3CCN(CC3)C(=O)C4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H27ClFN3O2/c22-17-2-1-3-18(23)19(17)21(28)26-12-8-16(9-13-26)25-10-6-14(7-11-25)20(27)24-15-4-5-15/h1-3,14-16H,4-13H2,(H,24,27)/p+1