1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea

Systemtic Name: 1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-[(3-fluoro-4-methyl-phenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea CAS Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]urea Traditional Name: 1-(3-fluoro-4-methyl-benzyl)-3-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]urea Formula: C23H31FN3O2+ MolecularWeight: 400.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NCC(C2=CC=C(C=C2)OC)[NH+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NC[C@@H](C2=CC=C(C=C2)OC)[NH+]3CCCCC3)F

InChI

InChI=1S/C23H30FN3O2/c1-17-6-7-18(14-21(17)24)15-25-23(28)26-16-22(27-12-4-3-5-13-27)19-8-10-20(29-2)11-9-19/h6-11,14,22H,3-5,12-13,15-16H2,1-2H3,(H2,25,26,28)/p+1/t22-/m0/s1