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

Systemtic Name: 1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-[(3-fluoro-4-methyl-phenyl)methyl]-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-(3-fluoro-4-methyl-benzyl)-3-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C22H29FN3O2+ MolecularWeight: 386.482963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NCC(C2=CC(=CC=C2)OC)[NH+]3CCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)NC[C@@H](C2=CC(=CC=C2)OC)[NH+]3CCCC3)F

InChI

InChI=1S/C22H28FN3O2/c1-16-8-9-17(12-20(16)23)14-24-22(27)25-15-21(26-10-3-4-11-26)18-6-5-7-19(13-18)28-2/h5-9,12-13,21H,3-4,10-11,14-15H2,1-2H3,(H2,24,25,27)/p+1/t21-/m0/s1