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

Systemtic Name: (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [2-(3-pyridyl)-4-quinolyl]-[4-(2-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [2-(3-pyridinyl)-4-quinolinyl]-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (2-pyridin-3-ylquinolin-4-yl)-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [2-(3-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=CN=CC=C5

Isomeric SMILES

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

InChI

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