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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(2-pyridin-2-ylquinolin-4-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-pyridyl)-4-quinolyl]methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-[2-(2-pyridinyl)-4-quinolinyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-pyridin-2-ylquinolin-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[2-(2-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=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

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