1-[1-(3-chloranyl-4-fluoranyl-phenyl)carbonylpiperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[1-(3-chloranyl-4-fluoranyl-phenyl)carbonylpiperidin-4-yl]-N-propan-2-yl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[1-(3-chloro-4-fluoro-benzoyl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[1-[(3-chloro-4-fluorophenyl)-oxomethyl]-4-piperidinyl]-N-propan-2-yl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[1-(3-chloro-4-fluorobenzoyl)piperidin-4-yl]-N-propan-2-ylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[1-(3-chloro-4-fluoro-benzoyl)-4-piperidyl]-N-isopropyl-piperidin-1-ium-4-carboxamide Formula: C21H30ClFN3O2+ MolecularWeight: 410.933203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CC(C)NC(=O)C1CC[NH+](CC1)C2CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H29ClFN3O2/c1-14(2)24-20(27)15-5-9-25(10-6-15)17-7-11-26(12-8-17)21(28)16-3-4-19(23)18(22)13-16/h3-4,13-15,17H,5-12H2,1-2H3,(H,24,27)/p+1