1-[4-ethoxy-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone

Systemtic Name: 1-[4-ethoxy-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone Openeye Name: 1-[4-ethoxy-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone CAS Name: 1-[4-ethoxy-3-[[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]methyl]phenyl]ethanone IUPAC Name: 1-[4-ethoxy-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylmethyl]phenyl]ethanone Traditional Name: 1-[4-ethoxy-3-[[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]methyl]phenyl]ethanone Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O3S/c1-3-30-22-9-8-18(17(2)28)14-19(22)16-31-24-20-6-4-5-7-21(20)25-23(26-24)15-27-10-12-29-13-11-27/h4-9,14H,3,10-13,15-16H2,1-2H3/p+1