N-[(2-fluorophenyl)methyl]-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propanamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Openeye Name: N-[(2-fluorophenyl)methyl]-3-[(3R)-1-(3-thienylmethyl)piperidin-1-ium-3-yl]propanamide CAS Name: N-[(2-fluorophenyl)methyl]-3-[(3R)-1-(3-thiophenylmethyl)-3-piperidin-1-iumyl]propanamide IUPAC Name: N-[(2-fluorophenyl)methyl]-3-[(3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-yl]propanamide Traditional Name: N-(2-fluorobenzyl)-3-[(3R)-1-(3-thenyl)piperidin-1-ium-3-yl]propionamide Formula: C20H26FN2OS+ MolecularWeight: 361.496643

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CSC=C2)CCC(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CSC=C2)CCC(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C20H25FN2OS/c21-19-6-2-1-5-18(19)12-22-20(24)8-7-16-4-3-10-23(13-16)14-17-9-11-25-15-17/h1-2,5-6,9,11,15-16H,3-4,7-8,10,12-14H2,(H,22,24)/p+1/t16-/m1/s1