1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-[(3-fluoranyl-4-methyl-phenyl)methyl]urea

Systemtic Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-[(3-fluoranyl-4-methyl-phenyl)methyl]urea Openeye Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-[(3-fluoro-4-methyl-phenyl)methyl]urea CAS Name: 1-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]-3-[(3-fluoro-4-methylphenyl)methyl]urea IUPAC Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-[(3-fluoro-4-methylphenyl)methyl]urea Traditional Name: 1-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]-3-(3-fluoro-4-methyl-benzyl)urea Formula: C16H25FN3O+ MolecularWeight: 294.387603

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1NC(=O)NCC2=CC(=C(C=C2)C)F)C

Isomeric SMILES

C[C@H]1CCC[C@@H]([NH+]1NC(=O)NCC2=CC(=C(C=C2)C)F)C

InChI

InChI=1S/C16H24FN3O/c1-11-7-8-14(9-15(11)17)10-18-16(21)19-20-12(2)5-4-6-13(20)3/h7-9,12-13H,4-6,10H2,1-3H3,(H2,18,19,21)/p+1/t12-,13-/m0/s1