[2-methoxy-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate

Systemtic Name: [2-methoxy-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate Openeye Name: [2-methoxy-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate CAS Name: benzoic acid [2-methoxy-4-[5-(4-morpholin-4-iumyl)penta-1,3-diynyl]phenyl] ester IUPAC Name: [2-methoxy-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] benzoate Traditional Name: benzoic acid [2-methoxy-4-(5-morpholin-4-ium-4-ylpenta-1,3-diynyl)phenyl] ester Formula: C23H22NO4+ MolecularWeight: 376.42508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#CC#CC[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#CC#CC[NH+]2CCOCC2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H21NO4/c1-26-22-18-19(8-4-3-7-13-24-14-16-27-17-15-24)11-12-21(22)28-23(25)20-9-5-2-6-10-20/h2,5-6,9-12,18H,13-17H2,1H3/p+1