1-(phenylmethyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea

Systemtic Name: 1-(phenylmethyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea Openeye Name: 1-benzyl-3-[(1S,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(phenylmethyl)-3-[(1R,2S)-1-phenyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]urea IUPAC Name: 1-benzyl-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl]urea Traditional Name: 1-benzyl-3-[(1S,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C21H28N3O+ MolecularWeight: 338.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17(23-21(25)22-16-18-10-4-2-5-11-18)20(24-14-8-9-15-24)19-12-6-3-7-13-19/h2-7,10-13,17,20H,8-9,14-16H2,1H3,(H2,22,23,25)/p+1/t17-,20-/m0/s1