(3R)-3-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylazepan-2-one

Systemtic Name: (3R)-3-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylazepan-2-one Openeye Name: (3R)-3-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylazepan-2-one CAS Name: (3R)-3-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-2-azepanone IUPAC Name: (3R)-3-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylazepan-2-one Traditional Name: (3R)-3-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]azepan-2-one Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C1CCNC(=O)[C@@H](C1)SC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

InChI=1S/C19H24N4O2S/c24-18-16(7-3-4-8-20-18)26-19-14-5-1-2-6-15(14)21-17(22-19)13-23-9-11-25-12-10-23/h1-2,5-6,16H,3-4,7-13H2,(H,20,24)/p+1/t16-/m1/s1