[2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-chloranylbenzoate

Systemtic Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-chloranylbenzoate Openeye Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [2,5-dimethyl-4-(4-morpholin-4-iumylmethyl)phenyl] ester IUPAC Name: [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [2,5-dimethyl-4-(morpholin-4-ium-4-ylmethyl)phenyl] ester Formula: C20H23ClNO3+ MolecularWeight: 360.85452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCOCC2)C)OC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO3/c1-14-12-19(25-20(23)16-3-5-18(21)6-4-16)15(2)11-17(14)13-22-7-9-24-10-8-22/h3-6,11-12H,7-10,13H2,1-2H3/p+1