[7-fluoranyl-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-1-ium-3-yl]methyl-phenethyl-azanium

Systemtic Name: [7-fluoranyl-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-1-ium-3-yl]methyl-phenethyl-azanium Openeye Name: [7-fluoro-2-[(3S)-3-(hydroxymethyl)-1-piperidyl]quinolin-1-ium-3-yl]methyl-phenethyl-ammonium CAS Name: [7-fluoro-2-[(3S)-3-(hydroxymethyl)-1-piperidinyl]-3-quinolin-1-iumyl]methyl-phenethylammonium IUPAC Name: [7-fluoro-2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]quinolin-1-ium-3-yl]methyl-phenethylazanium Traditional Name: [7-fluoro-2-[(3S)-3-methylolpiperidino]quinolin-1-ium-3-yl]methyl-phenethyl-ammonium Formula: C24H30FN3O+2 MolecularWeight: 395.512903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=C3C=CC(=CC3=[NH+]2)F)C[NH2+]CCC4=CC=CC=C4)CO

Isomeric SMILES

C1C[C@@H](CN(C1)C2=C(C=C3C=CC(=CC3=[NH+]2)F)C[NH2+]CCC4=CC=CC=C4)CO

InChI

InChI=1S/C24H28FN3O/c25-22-9-8-20-13-21(15-26-11-10-18-5-2-1-3-6-18)24(27-23(20)14-22)28-12-4-7-19(16-28)17-29/h1-3,5-6,8-9,13-14,19,26,29H,4,7,10-12,15-17H2/p+2/t19-/m0/s1