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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-pyridyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(2-pyridin-4-yl-4-quinolinyl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(4-pyridyl)-4-quinolyl]methanone Formula: C26H25N4O+ MolecularWeight: 409.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O/c31-26(30-16-14-29(15-17-30)19-20-6-2-1-3-7-20)23-18-25(21-10-12-27-13-11-21)28-24-9-5-4-8-22(23)24/h1-13,18H,14-17,19H2/p+1