1,3-benzodioxol-5-yl 4-(morpholin-4-ium-4-ylmethyl)benzoate

Systemtic Name: 1,3-benzodioxol-5-yl 4-(morpholin-4-ium-4-ylmethyl)benzoate Openeye Name: 1,3-benzodioxol-5-yl 4-(morpholin-4-ium-4-ylmethyl)benzoate CAS Name: 4-(4-morpholin-4-iumylmethyl)benzoic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 4-(morpholin-4-ium-4-ylmethyl)benzoate Traditional Name: 4-(morpholin-4-ium-4-ylmethyl)benzoic acid 1,3-benzodioxol-5-yl ester Formula: C19H20NO5+ MolecularWeight: 342.3658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19NO5/c21-19(25-16-5-6-17-18(11-16)24-13-23-17)15-3-1-14(2-4-15)12-20-7-9-22-10-8-20/h1-6,11H,7-10,12-13H2/p+1