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

Systemtic Name: [5-chloranyl-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 3-nitrobenzoate Openeye Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic 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-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] ester Formula: C21H19ClN3O5+ MolecularWeight: 428.84566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=C3C=CC=NC3=C2OC(=O)C4=CC(=CC=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H18ClN3O5/c22-18-12-15(13-24-7-9-29-10-8-24)20(19-17(18)5-2-6-23-19)30-21(26)14-3-1-4-16(11-14)25(27)28/h1-6,11-12H,7-10,13H2/p+1