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

Systemtic Name: [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Openeye Name: [4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone CAS Name: [4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]-[2-(3-pyridinyl)-4-quinolinyl]methanone IUPAC Name: [4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]-(2-pyridin-3-ylquinolin-4-yl)methanone Traditional Name: [4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-yl]-[2-(3-pyridyl)-4-quinolyl]methanone Formula: C29H26N5OS+ MolecularWeight: 492.61464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H25N5OS/c35-29(25-17-27(22-9-6-12-30-18-22)32-26-11-5-4-10-24(25)26)34-15-13-33(14-16-34)19-23-20-36-28(31-23)21-7-2-1-3-8-21/h1-12,17-18,20H,13-16,19H2/p+1