N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-cyclohexanecarboxamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-cyclohexanecarboxamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methyl-cyclohexanecarboxamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-N-methylcyclohexanecarboxamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-N-methylcyclohexanecarboxamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-N-methyl-cyclohexanecarboxamide Formula: C20H30FN2O+ MolecularWeight: 333.463403

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3CCCCC3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3CCCCC3

InChI

InChI=1S/C20H29FN2O/c1-22(20(24)16-8-3-2-4-9-16)18-11-7-13-23(15-18)14-17-10-5-6-12-19(17)21/h5-6,10,12,16,18H,2-4,7-9,11,13-15H2,1H3/p+1/t18-/m0/s1