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

Systemtic Name: 1-(3-nitrophenyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea Openeye Name: 1-[(1S,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-nitrophenyl)urea CAS Name: 1-(3-nitrophenyl)-3-[(1R,2S)-1-phenyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]urea IUPAC Name: 1-(3-nitrophenyl)-3-[(1R,2S)-1-phenyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl]urea Traditional Name: 1-[(1S,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]-3-(3-nitrophenyl)urea Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)[NH+]2CCCC2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c1-15(19(23-12-5-6-13-23)16-8-3-2-4-9-16)21-20(25)22-17-10-7-11-18(14-17)24(26)27/h2-4,7-11,14-15,19H,5-6,12-13H2,1H3,(H2,21,22,25)/p+1/t15-,19-/m0/s1