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

Systemtic Name: N-ethyl-N-[(3-fluoranyl-4-methoxy-phenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-ethanamide Openeye Name: N-ethyl-N-[(3-fluoro-4-methoxy-phenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]acetamide IUPAC Name: N-ethyl-N-[(3-fluoro-4-methoxyphenyl)methyl]-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetamide Traditional Name: N-ethyl-N-(3-fluoro-4-methoxy-benzyl)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetamide Formula: C25H30FN4O3S+ MolecularWeight: 485.594103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29FN4O3S/c1-3-30(15-18-8-9-22(32-2)20(26)14-18)24(31)17-34-25-19-6-4-5-7-21(19)27-23(28-25)16-29-10-12-33-13-11-29/h4-9,14H,3,10-13,15-17H2,1-2H3/p+1