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

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

C1CC(C[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N4OS/c26-20-15-7-1-2-8-16(15)22-19(24-20)13-25-11-5-6-14(12-25)21-23-17-9-3-4-10-18(17)27-21/h1-4,7-10,14H,5-6,11-13H2,(H,22,24,26)/p+1/t14-/m1/s1