2-(5-chloranylthiophen-2-yl)-N-(2-methylquinolin-8-yl)quinolin-1-ium-4-carboxamide

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-N-(2-methylquinolin-8-yl)quinolin-1-ium-4-carboxamide Openeye Name: 2-(5-chloro-2-thienyl)-N-(2-methyl-8-quinolyl)quinolin-1-ium-4-carboxamide CAS Name: 2-(5-chloro-2-thiophenyl)-N-(2-methyl-8-quinolinyl)-4-quinolin-1-iumcarboxamide IUPAC Name: 2-(5-chlorothiophen-2-yl)-N-(2-methylquinolin-8-yl)quinolin-1-ium-4-carboxamide Traditional Name: 2-(5-chloro-2-thienyl)-N-(2-methyl-8-quinolyl)quinolin-1-ium-4-carboxamide Formula: C24H17ClN3OS+ MolecularWeight: 430.92928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2NC(=O)C3=CC(=[NH+]C4=CC=CC=C43)C5=CC=C(S5)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2NC(=O)C3=CC(=[NH+]C4=CC=CC=C43)C5=CC=C(S5)Cl)C=C1

InChI

InChI=1S/C24H16ClN3OS/c1-14-9-10-15-5-4-8-19(23(15)26-14)28-24(29)17-13-20(21-11-12-22(25)30-21)27-18-7-3-2-6-16(17)18/h2-13H,1H3,(H,28,29)/p+1