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

Systemtic Name: [5-chloranyl-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] benzoate Openeye Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] benzoate CAS Name: benzoic acid [5-chloro-7-(4-morpholin-4-iumylmethyl)-8-quinolinyl] ester IUPAC Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] benzoate Traditional Name: benzoic acid [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] ester Formula: C21H20ClN2O3+ MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3/c22-18-13-16(14-24-9-11-26-12-10-24)20(19-17(18)7-4-8-23-19)27-21(25)15-5-2-1-3-6-15/h1-8,13H,9-12,14H2/p+1