2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-iumyl]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Formula: C20H18ClN4OS+ MolecularWeight: 397.90112

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C20H17ClN4OS/c21-12-7-8-14-13(10-12)19(26)24-18(22-14)11-25-9-3-5-16(25)20-23-15-4-1-2-6-17(15)27-20/h1-2,4,6-8,10,16H,3,5,9,11H2,(H,22,24,26)/p+1/t16-/m0/s1