1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-(1-propan-2-ylpiperidin-1-ium-4-yl)urea

Systemtic Name: 1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Openeye Name: 1-[(3-fluoro-4-methyl-phenyl)methyl]-3-(1-isopropylpiperidin-1-ium-4-yl)urea CAS Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-propan-2-yl-4-piperidin-1-iumyl)urea IUPAC Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-(1-propan-2-ylpiperidin-1-ium-4-yl)urea Traditional Name: 1-(3-fluoro-4-methyl-benzyl)-3-(1-isopropylpiperidin-1-ium-4-yl)urea Formula: C17H27FN3O+ MolecularWeight: 308.414183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NC2CC[NH+](CC2)C(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NC2CC[NH+](CC2)C(C)C)F

InChI

InChI=1S/C17H26FN3O/c1-12(2)21-8-6-15(7-9-21)20-17(22)19-11-14-5-4-13(3)16(18)10-14/h4-5,10,12,15H,6-9,11H2,1-3H3,(H2,19,20,22)/p+1