[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-[2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-[2-(2-pyridyl)-4-quinolyl]methanone Formula: C32H29N4O+ MolecularWeight: 485.59886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

InChI

InChI=1S/C32H28N4O/c37-32(27-23-30(29-17-9-10-18-33-29)34-28-16-8-7-15-26(27)28)36-21-19-35(20-22-36)31(24-11-3-1-4-12-24)25-13-5-2-6-14-25/h1-18,23,31H,19-22H2/p+1