azepan-1-yl-[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: azepan-1-yl-[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone Openeye Name: azepan-1-yl-[1-[[5-(4-fluorophenyl)oxazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone CAS Name: 1-azepanyl-[1-[[5-(4-fluorophenyl)-2-oxazolyl]methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[1-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone Traditional Name: azepan-1-yl-[1-[[5-(4-fluorophenyl)oxazol-2-yl]methyl]piperidin-1-ium-4-yl]methanone Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC3=NC=C(O3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H28FN3O2/c23-19-7-5-17(6-8-19)20-15-24-21(28-20)16-25-13-9-18(10-14-25)22(27)26-11-3-1-2-4-12-26/h5-8,15,18H,1-4,9-14,16H2/p+1