1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-(3-piperidin-1-ium-1-ylpropyl)urea

Systemtic Name: 1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Openeye Name: 1-[(3-fluoro-4-methyl-phenyl)methyl]-3-(3-piperidin-1-ium-1-ylpropyl)urea CAS Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[3-(1-piperidin-1-iumyl)propyl]urea IUPAC Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-(3-piperidin-1-ium-1-ylpropyl)urea Traditional Name: 1-(3-fluoro-4-methyl-benzyl)-3-(3-piperidin-1-ium-1-ylpropyl)urea Formula: C17H27FN3O+ MolecularWeight: 308.414183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NCCC[NH+]2CCCCC2)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NCCC[NH+]2CCCCC2)F

InChI

InChI=1S/C17H26FN3O/c1-14-6-7-15(12-16(14)18)13-20-17(22)19-8-5-11-21-9-3-2-4-10-21/h6-7,12H,2-5,8-11,13H2,1H3,(H2,19,20,22)/p+1