1-(4-ethoxyphenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]urea

Systemtic Name: 1-(4-ethoxyphenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Openeye Name: 1-(4-ethoxyphenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]urea CAS Name: 1-(4-ethoxyphenyl)-3-[[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]urea IUPAC Name: 1-(4-ethoxyphenyl)-3-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]urea Traditional Name: 1-[[1-(4-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-3-p-phenetyl-urea Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)NCC2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)NCC2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FN3O2/c1-2-28-21-9-7-20(8-10-21)25-22(27)24-15-17-11-13-26(14-12-17)16-18-3-5-19(23)6-4-18/h3-10,17H,2,11-16H2,1H3,(H2,24,25,27)/p+1