1-(4-tert-butylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-tert-butylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-tert-butylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(4-tert-butylphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-tert-butylphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-tert-butylphenyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]ethanone Formula: C25H30N3O2S+ MolecularWeight: 436.5896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C25H29N3O2S/c1-25(2,3)19-10-8-18(9-11-19)22(29)17-31-24-20-6-4-5-7-21(20)26-23(27-24)16-28-12-14-30-15-13-28/h4-11H,12-17H2,1-3H3/p+1