3,3-diphenyl-2-[(1-propylaziridin-1-ium-1-yl)methyl]propanoic acid

Systemtic Name: 3,3-diphenyl-2-[(1-propylaziridin-1-ium-1-yl)methyl]propanoic acid Openeye Name: 3,3-diphenyl-2-[(1-propylaziridin-1-ium-1-yl)methyl]propanoic acid CAS Name: 3,3-diphenyl-2-[(1-propyl-1-aziridin-1-iumyl)methyl]propanoic acid IUPAC Name: 3,3-diphenyl-2-[(1-propylaziridin-1-ium-1-yl)methyl]propanoic acid Traditional Name: 3,3-diphenyl-2-[(1-propylethylenimin-1-ium-1-yl)methyl]propionic acid Formula: C21H26NO2+ MolecularWeight: 324.43664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CC1)CC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCC[N+]1(CC1)CC(C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H25NO2/c1-2-13-22(14-15-22)16-19(21(23)24)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3/p+1