(2S)-1-(4-ethoxyphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propan-1-one

Systemtic Name: (2S)-1-(4-ethoxyphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propan-1-one Openeye Name: (2S)-1-(4-ethoxyphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-propan-1-one CAS Name: (2S)-1-(4-ethoxyphenyl)-2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-propanone IUPAC Name: (2S)-1-(4-ethoxyphenyl)-2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylpropan-1-one Traditional Name: (2S)-2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-1-p-phenetyl-propan-1-one Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O3S/c1-3-30-19-10-8-18(9-11-19)23(28)17(2)31-24-20-6-4-5-7-21(20)25-22(26-24)16-27-12-14-29-15-13-27/h4-11,17H,3,12-16H2,1-2H3/p+1/t17-/m0/s1