2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dichlorophenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dichlorophenyl)-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C22H22Cl2N3O2+ MolecularWeight: 431.33498

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O2/c23-18-6-5-15(13-19(18)24)21-14-17(16-3-1-2-4-20(16)26-21)22(28)25-7-8-27-9-11-29-12-10-27/h1-6,13-14H,7-12H2,(H,25,28)/p+1