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

Systemtic Name: 1-[(3-fluoranyl-4-methyl-phenyl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea Openeye Name: 1-[(3-fluoro-4-methyl-phenyl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 1-[(3-fluoro-4-methylphenyl)methyl]-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]urea Traditional Name: 1-(3-fluoro-4-methyl-benzyl)-3-[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C21H27FN3O+ MolecularWeight: 356.456983

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)NC(C[NH+]2CCCC2)C3=CC=CC=C3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)N[C@H](C[NH+]2CCCC2)C3=CC=CC=C3)F

InChI

InChI=1S/C21H26FN3O/c1-16-9-10-17(13-19(16)22)14-23-21(26)24-20(15-25-11-5-6-12-25)18-7-3-2-4-8-18/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3,(H2,23,24,26)/p+1/t20-/m1/s1