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

Systemtic Name: 2-[(1R)-1-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(phenylmethyl)-1-piperidin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-benzylpiperidin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C22H26N3O+ MolecularWeight: 348.46134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-16(21-23-20-10-6-5-9-19(20)22(26)24-21)25-13-11-18(12-14-25)15-17-7-3-2-4-8-17/h2-10,16,18H,11-15H2,1H3,(H,23,24,26)/p+1/t16-/m1/s1