(2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate

Systemtic Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxidanylidene-4-[(4-phenoxyphenyl)amino]butanoate Openeye Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-oxo-4-(4-phenoxyanilino)butanoate CAS Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-oxo-4-(4-phenoxyanilino)butanoate IUPAC Name: (2R)-2-[3-(dimethylazaniumyl)propylazaniumyl]-4-oxo-4-(4-phenoxyanilino)butanoate Traditional Name: (2R)-2-[3-(dimethylammonio)propylammonio]-4-keto-4-(4-phenoxyanilino)butyrate Formula: C21H28N3O4+ MolecularWeight: 386.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]C(CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCC[NH2+][C@H](CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C21H27N3O4/c1-24(2)14-6-13-22-19(21(26)27)15-20(25)23-16-9-11-18(12-10-16)28-17-7-4-3-5-8-17/h3-5,7-12,19,22H,6,13-15H2,1-2H3,(H,23,25)(H,26,27)/p+1/t19-/m1/s1