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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloranyl-quinazolin-4-olate Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloro-quinazolin-4-olate CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-7-chloro-4-quinazolinolate IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloroquinazolin-4-olate Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-chloro-quinazolin-4-olate Formula: C21H19ClN4OS MolecularWeight: 410.91976

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC5=C(C=CC(=C5)Cl)C(=N4)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC5=C(C=CC(=C5)Cl)C(=N4)[O-]

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)