[5-chloranyl-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 3,5-dimethoxybenzoate

Systemtic Name: [5-chloranyl-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 3,5-dimethoxybenzoate Openeye Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [5-chloro-7-(4-morpholin-4-iumylmethyl)-8-quinolinyl] ester IUPAC Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] ester Formula: C23H24ClN2O5+ MolecularWeight: 443.90006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OC2=C3C(=C(C=C2C[NH+]4CCOCC4)Cl)C=CC=N3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OC2=C3C(=C(C=C2C[NH+]4CCOCC4)Cl)C=CC=N3)OC

InChI

InChI=1S/C23H23ClN2O5/c1-28-17-10-15(11-18(13-17)29-2)23(27)31-22-16(14-26-6-8-30-9-7-26)12-20(24)19-4-3-5-25-21(19)22/h3-5,10-13H,6-9,14H2,1-2H3/p+1