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

Systemtic Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone Openeye Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[2-(1-naphthyl)-4-quinolyl]methanone CAS Name: [4-(2-hydroxyethyl)-1-piperazin-4-iumyl]-[2-(1-naphthalenyl)-4-quinolinyl]methanone IUPAC Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-(2-naphthalen-1-ylquinolin-4-yl)methanone Traditional Name: [4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-[2-(1-naphthyl)-4-quinolyl]methanone Formula: C26H26N3O2+ MolecularWeight: 412.50354

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1CCO)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H25N3O2/c30-17-16-28-12-14-29(15-13-28)26(31)23-18-25(27-24-11-4-3-9-22(23)24)21-10-5-7-19-6-1-2-8-20(19)21/h1-11,18,30H,12-17H2/p+1