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

Systemtic Name: (2-pyridin-2-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(2-pyridyl)-4-quinolyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(2-pyridinyl)-4-quinolinyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-pyridin-2-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(2-pyridyl)-4-quinolyl]-[4-(2-thenyl)piperazin-4-ium-1-yl]methanone Formula: C24H23N4OS+ MolecularWeight: 415.53062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

InChI

InChI=1S/C24H22N4OS/c29-24(28-13-11-27(12-14-28)17-18-6-5-15-30-18)20-16-23(22-9-3-4-10-25-22)26-21-8-2-1-7-19(20)21/h1-10,15-16H,11-14,17H2/p+1