1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methylphenyl)urea

Systemtic Name: 1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methylphenyl)urea Openeye Name: 1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(o-tolyl)urea CAS Name: 1-[[1-[(4-fluorophenyl)methyl]-4-piperidin-1-iumyl]methyl]-3-(2-methylphenyl)urea IUPAC Name: 1-[[1-[(4-fluorophenyl)methyl]piperidin-1-ium-4-yl]methyl]-3-(2-methylphenyl)urea Traditional Name: 1-[[1-(4-fluorobenzyl)piperidin-1-ium-4-yl]methyl]-3-(o-tolyl)urea Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NCC2CC[NH+](CC2)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NCC2CC[NH+](CC2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H26FN3O/c1-16-4-2-3-5-20(16)24-21(26)23-14-17-10-12-25(13-11-17)15-18-6-8-19(22)9-7-18/h2-9,17H,10-15H2,1H3,(H2,23,24,26)/p+1