tert-butyl 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: tert-butyl 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: tert-butyl 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetic acid tert-butyl ester Formula: C19H26N3O3S+ MolecularWeight: 376.49304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC(=NC2=CC=CC=C21)C[NH+]3CCOCC3

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)25-17(23)13-26-18-14-6-4-5-7-15(14)20-16(21-18)12-22-8-10-24-11-9-22/h4-7H,8-13H2,1-3H3/p+1