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

Systemtic Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C21H21N4OS+ MolecularWeight: 377.48264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C21H20N4OS/c26-20-15-5-1-2-6-16(15)22-19(24-20)13-25-11-9-14(10-12-25)21-23-17-7-3-4-8-18(17)27-21/h1-8,14H,9-13H2,(H,22,24,26)/p+1