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

Systemtic Name: 2-[(1R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(3-chlorophenyl)methyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(3-chlorobenzyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H24ClN4O+ MolecularWeight: 383.89446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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