2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloro-1H-quinazolin-4-one Formula: C21H20ClN4OS+ MolecularWeight: 411.9277

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4OS/c22-14-7-8-15-17(10-14)23-19(25-20(15)27)12-26-9-3-4-13(11-26)21-24-16-5-1-2-6-18(16)28-21/h1-2,5-8,10,13H,3-4,9,11-12H2,(H,23,25,27)/p+1/t13-/m0/s1