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

Systemtic Name: 1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-methoxyphenyl)urea Openeye Name: 1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-methoxyphenyl)urea CAS Name: 1-[[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(3-methoxyphenyl)urea IUPAC Name: 1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(3-methoxyphenyl)urea Traditional Name: 1-[[1-(4-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-3-(3-methoxyphenyl)urea Formula: C21H27FN3O2+ MolecularWeight: 372.456383

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)NCC2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)NCC2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O2/c1-27-20-4-2-3-19(13-20)24-21(26)23-14-16-9-11-25(12-10-16)15-17-5-7-18(22)8-6-17/h2-8,13,16H,9-12,14-15H2,1H3,(H2,23,24,26)/p+1