2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]-1-pyrrolidino-ethanone Formula: C19H25N4O2S+ MolecularWeight: 373.4924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C[NH+]4CCOCC4

InChI

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