2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethyl benzoate

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethyl benzoate Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethyl benzoate CAS Name: benzoic acid 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethyl ester IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethyl benzoate Traditional Name: benzoic acid 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethyl ester Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCCOC(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCCOC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c26-22(17-6-2-1-3-7-17)28-14-15-29-21-18-8-4-5-9-19(18)23-20(24-21)16-25-10-12-27-13-11-25/h1-9H,10-16H2/p+1