1-(4-methoxy-2-nitro-phenyl)-3-[(1R,2R)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(1R,2R)-1-phenyl-1-pyrrolidin-1-ium-1-yl-propan-2-yl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(1R,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[(1R,2R)-1-phenyl-1-(1-pyrrolidin-1-iumyl)propan-2-yl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[(1R,2R)-1-phenyl-1-pyrrolidin-1-ium-1-ylpropan-2-yl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(1R,2R)-1-methyl-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]urea Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O4/c1-15(20(24-12-6-7-13-24)16-8-4-3-5-9-16)22-21(26)23-18-11-10-17(29-2)14-19(18)25(27)28/h3-5,8-11,14-15,20H,6-7,12-13H2,1-2H3,(H2,22,23,26)/p+1/t15-,20+/m1/s1