(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone

Systemtic Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(4-pyridin-1-iumyl)-1-piperazinyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: (4-pyridin-1-ium-4-ylpiperazin-1-yl)-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: (4-pyridin-1-ium-4-ylpiperazino)-[2-(2-thienyl)-4-quinolyl]methanone Formula: C23H21N4OS+ MolecularWeight: 401.50404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C23H20N4OS/c28-23(27-13-11-26(12-14-27)17-7-9-24-10-8-17)19-16-21(22-6-3-15-29-22)25-20-5-2-1-4-18(19)20/h1-10,15-16H,11-14H2/p+1