1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenyl-propan-2-yl]-3-(4-nitrophenyl)urea Openeye Name: 1-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-3-(4-nitrophenyl)urea CAS Name: 1-[(1S,2R)-1-(4-morpholin-4-iumyl)-1-phenylpropan-2-yl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(1S,2R)-1-morpholin-4-ium-4-yl-1-phenylpropan-2-yl]-3-(4-nitrophenyl)urea Traditional Name: 1-[(1R,2S)-1-methyl-2-morpholin-4-ium-4-yl-2-phenyl-ethyl]-3-(4-nitrophenyl)urea Formula: C20H25N4O4+ MolecularWeight: 385.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H]([C@H](C1=CC=CC=C1)[NH+]2CCOCC2)NC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-15(21-20(25)22-17-7-9-18(10-8-17)24(26)27)19(16-5-3-2-4-6-16)23-11-13-28-14-12-23/h2-10,15,19H,11-14H2,1H3,(H2,21,22,25)/p+1/t15-,19-/m1/s1