N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,5-dimethoxy-N-methyl-benzamide

Systemtic Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,5-dimethoxy-N-methyl-benzamide Openeye Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,5-dimethoxy-N-methyl-benzamide CAS Name: N-[(3S)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumyl]-2,5-dimethoxy-N-methylbenzamide IUPAC Name: N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-yl]-2,5-dimethoxy-N-methylbenzamide Traditional Name: N-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-2,5-dimethoxy-N-methyl-benzamide Formula: C22H28FN2O3+ MolecularWeight: 387.467723

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CC2=CC=CC=C2F)C(=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H27FN2O3/c1-24(22(26)19-13-18(27-2)10-11-21(19)28-3)17-8-6-12-25(15-17)14-16-7-4-5-9-20(16)23/h4-5,7,9-11,13,17H,6,8,12,14-15H2,1-3H3/p+1/t17-/m0/s1