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

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

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

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