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

Systemtic Name: [5-chloranyl-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 4-bromanylbenzoate Openeye Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [5-chloro-7-(4-morpholin-4-iumylmethyl)-8-quinolinyl] ester IUPAC Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] ester Formula: C21H19BrClN2O3+ MolecularWeight: 462.74416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrClN2O3/c22-16-5-3-14(4-6-16)21(26)28-20-15(13-25-8-10-27-11-9-25)12-18(23)17-2-1-7-24-19(17)20/h1-7,12H,8-11,13H2/p+1