2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]sulfanylethanoate

Systemtic Name: 2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]sulfanylethanoate Openeye Name: 2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]sulfanylacetate CAS Name: 2-[[2-(1-pyrrolidin-1-iumylmethyl)-4-quinazolinyl]thio]acetate IUPAC Name: 2-[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]sulfanylacetate Traditional Name: 2-[[2-(pyrrolidin-1-ium-1-ylmethyl)quinazolin-4-yl]thio]acetate Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SCC(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=NC3=CC=CC=C3C(=N2)SCC(=O)[O-]

InChI

InChI=1S/C15H17N3O2S/c19-14(20)10-21-15-11-5-1-2-6-12(11)16-13(17-15)9-18-7-3-4-8-18/h1-2,5-6H,3-4,7-10H2,(H,19,20)