(3R)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[[1-(2-fluorophenyl)-2-pyrrolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C17H21FN3O+ MolecularWeight: 302.366543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CN2C3=CC=CC=C3F)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC=CN2C3=CC=CC=C3F)C(=O)N

InChI

InChI=1S/C17H20FN3O/c18-15-7-1-2-8-16(15)21-10-4-6-14(21)12-20-9-3-5-13(11-20)17(19)22/h1-2,4,6-8,10,13H,3,5,9,11-12H2,(H2,19,22)/p+1/t13-/m1/s1