[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone

Systemtic Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-(4-pyridylmethyl)piperazin-4-ium-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C25H24N5O+ MolecularWeight: 410.49096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

InChI

InChI=1S/C25H23N5O/c31-25(30-14-12-29(13-15-30)18-19-7-10-26-11-8-19)22-16-24(20-4-3-9-27-17-20)28-23-6-2-1-5-21(22)23/h1-11,16-17H,12-15,18H2/p+1