N-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-butyl-1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-N-butyl-1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-butyl-1-[(2-chloro-6-fluorophenyl)methyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-N-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-N-butyl-1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carboxamide Formula: C24H31ClFN2O+ MolecularWeight: 417.967143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCN(CC1=CC=CC=C1)C(=O)C2CC[NH+](CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C24H30ClFN2O/c1-2-3-14-28(17-19-8-5-4-6-9-19)24(29)20-12-15-27(16-13-20)18-21-22(25)10-7-11-23(21)26/h4-11,20H,2-3,12-18H2,1H3/p+1