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

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-(2-thiophen-2-yl-4-quinolinyl)methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-thiophen-2-ylquinolin-4-yl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[2-(2-thienyl)-4-quinolyl]methanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c24-12-11-22-7-9-23(10-8-22)20(25)16-14-18(19-6-3-13-26-19)21-17-5-2-1-4-15(16)17/h1-6,13-14,24H,7-12H2/p+1