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

Systemtic Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C22H23N4OS+ MolecularWeight: 391.50922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H22N4OS/c1-14(20-23-17-7-3-2-6-16(17)21(27)25-20)26-12-10-15(11-13-26)22-24-18-8-4-5-9-19(18)28-22/h2-9,14-15H,10-13H2,1H3,(H,23,25,27)/p+1/t14-/m1/s1