(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate CAS Name: 2-[[4-(4-morpholin-4-iumylmethyl)phenyl]methylamino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]methylamino]benzoate Traditional Name: 2-[[4-(morpholin-4-ium-4-ylmethyl)benzyl]amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C25H33N2O4+ MolecularWeight: 425.54052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NCC2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NCC2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C25H32N2O4/c1-25(2,3)23(28)18-31-24(29)21-6-4-5-7-22(21)26-16-19-8-10-20(11-9-19)17-27-12-14-30-15-13-27/h4-11,26H,12-18H2,1-3H3/p+1