N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-ethyl-N-[(3-fluorophenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-ethyl-N-(3-fluorobenzyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C24H28FN4O2S+ MolecularWeight: 455.568123

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CCN(CC1=CC(=CC=C1)F)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H27FN4O2S/c1-2-29(15-18-6-5-7-19(25)14-18)23(30)17-32-24-20-8-3-4-9-21(20)26-22(27-24)16-28-10-12-31-13-11-28/h3-9,14H,2,10-13,15-17H2,1H3/p+1