3,3-dimethyl-1-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-butan-2-one

Systemtic Name: 3,3-dimethyl-1-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-butan-2-one Openeye Name: 3,3-dimethyl-1-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-butan-2-one CAS Name: 3,3-dimethyl-1-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-2-butanone IUPAC Name: 3,3-dimethyl-1-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylbutan-2-one Traditional Name: 3,3-dimethyl-1-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]butan-2-one Formula: C19H26N3O2S+ MolecularWeight: 360.49364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O2S/c1-19(2,3)16(23)13-25-18-14-6-4-5-7-15(14)20-17(21-18)12-22-8-10-24-11-9-22/h4-7H,8-13H2,1-3H3/p+1