2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one CAS Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-6-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Traditional Name: 2-[[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-6-chloro-1H-quinazolin-4-one Formula: C21H20ClN4OS+ MolecularWeight: 411.9277

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C2=NC3=CC=CC=C3S2)CC4=NC(=O)C5=C(N4)C=CC(=C5)Cl

InChI

InChI=1S/C21H19ClN4OS/c22-13-8-9-15-14(11-13)20(27)25-19(23-15)12-26-10-4-3-6-17(26)21-24-16-5-1-2-7-18(16)28-21/h1-2,5,7-9,11,17H,3-4,6,10,12H2,(H,23,25,27)/p+1/t17-/m0/s1