[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C23H29N2O4+ MolecularWeight: 397.48736

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)C[NH+]3CCOCC3

InChI

InChI=1S/C23H28N2O4/c1-17(2)20-5-3-4-6-21(20)24-22(26)16-29-23(27)19-9-7-18(8-10-19)15-25-11-13-28-14-12-25/h3-10,17H,11-16H2,1-2H3,(H,24,26)/p+1