2-[4-oxidanylidene-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-3-yl]ethanenitrile Openeye Name: 2-[4-oxo-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile CAS Name: 2-[4-oxo-2-[[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-3-quinazolinyl]acetonitrile IUPAC Name: 2-[4-oxo-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Traditional Name: 2-[4-keto-2-[[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]quinazolin-3-yl]acetonitrile Formula: C19H19N4OS+ MolecularWeight: 351.44536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CS4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC3=CC=CC=C3C(=O)N2CC#N)C4=CC=CS4

InChI

InChI=1S/C19H18N4OS/c20-9-11-23-18(21-15-6-2-1-5-14(15)19(23)24)13-22-10-3-7-16(22)17-8-4-12-25-17/h1-2,4-6,8,12,16H,3,7,10-11,13H2/p+1/t16-/m0/s1