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

Systemtic Name: [5-chloranyl-7-(morpholin-4-ium-4-ylmethyl)quinolin-8-yl] 3-methoxybenzoate Openeye Name: [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] 3-methoxybenzoate CAS Name: 3-methoxybenzoic 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-methoxybenzoate Traditional Name: 3-methoxybenzoic acid [5-chloro-7-(morpholin-4-ium-4-ylmethyl)-8-quinolyl] ester Formula: C22H22ClN2O4+ MolecularWeight: 413.87408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN2O4/c1-27-17-5-2-4-15(12-17)22(26)29-21-16(14-25-8-10-28-11-9-25)13-19(23)18-6-3-7-24-20(18)21/h2-7,12-13H,8-11,14H2,1H3/p+1