(2-pyridin-2-ylquinolin-4-yl)-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-pyridin-2-ylquinolin-4-yl)-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: [2-(2-pyridyl)-4-quinolyl]-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: [2-(2-pyridinyl)-4-quinolinyl]-[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-pyridin-2-ylquinolin-4-yl)-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: [2-(2-pyridyl)-4-quinolyl]-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-4-ium-1-yl]methanone Formula: C27H24N5OS2+ MolecularWeight: 498.64236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC(=N2)C3=CSC=C3)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=N6

InChI

InChI=1S/C27H23N5OS2/c33-27(22-15-25(24-7-3-4-9-28-24)30-23-6-2-1-5-21(22)23)32-12-10-31(11-13-32)16-20-18-35-26(29-20)19-8-14-34-17-19/h1-9,14-15,17-18H,10-13,16H2/p+1