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

Systemtic Name: 2-[(1R)-1-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-(4-benzylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-(4-benzylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-(4-benzylpiperazin-1-ium-1-yl)ethyl]-1H-quinazolin-4-one Formula: C21H25N4O+ MolecularWeight: 349.4494

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O/c1-16(20-22-19-10-6-5-9-18(19)21(26)23-20)25-13-11-24(12-14-25)15-17-7-3-2-4-8-17/h2-10,16H,11-15H2,1H3,(H,22,23,26)/p+1/t16-/m1/s1