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

Systemtic Name: 2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(4-chlorobenzyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H24ClN4O+ MolecularWeight: 383.89446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O/c1-15(20-23-19-5-3-2-4-18(19)21(27)24-20)26-12-10-25(11-13-26)14-16-6-8-17(22)9-7-16/h2-9,15H,10-14H2,1H3,(H,23,24,27)/p+1/t15-/m1/s1