2-[(1R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-15(20-22-19-9-4-3-8-18(19)21(26)23-20)24-10-12-25(13-11-24)16-6-5-7-17(14-16)27-2/h3-9,14-15H,10-13H2,1-2H3,(H,22,23,26)/p+1/t15-/m1/s1