2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H19N4OS+ MolecularWeight: 363.45606

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H18N4OS/c25-19-13-6-1-2-7-14(13)21-18(23-19)12-24-11-5-9-16(24)20-22-15-8-3-4-10-17(15)26-20/h1-4,6-8,10,16H,5,9,11-12H2,(H,21,23,25)/p+1/t16-/m1/s1