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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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