(7R)-7-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: (7R)-7-phenyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Openeye Name: (7R)-2-(4-benzylpiperazin-4-ium-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one CAS Name: (7R)-7-phenyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: (7R)-2-(4-benzylpiperazin-4-ium-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one Traditional Name: (7R)-2-(4-benzylpiperazin-4-ium-1-yl)-7-phenyl-7,8-dihydro-6H-quinazolin-5-one Formula: C25H27N4O+ MolecularWeight: 399.50808

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C4C(=N3)CC(CC4=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC=C4C(=N3)C[C@H](CC4=O)C5=CC=CC=C5

InChI

InChI=1S/C25H26N4O/c30-24-16-21(20-9-5-2-6-10-20)15-23-22(24)17-26-25(27-23)29-13-11-28(12-14-29)18-19-7-3-1-4-8-19/h1-10,17,21H,11-16,18H2/p+1/t21-/m1/s1