2-(4-chlorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-chlorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(4-chlorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide CAS Name: 2-(4-chlorophenyl)-3-methyl-N-[2-(4-morpholin-4-iumyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 2-(4-chlorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-(4-chlorophenyl)-3-methyl-N-(2-morpholin-4-ium-4-ylethyl)cinchoninamide Formula: C23H25ClN3O2+ MolecularWeight: 410.9165

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=C(C=C3)Cl)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C23H24ClN3O2/c1-16-21(23(28)25-10-11-27-12-14-29-15-13-27)19-4-2-3-5-20(19)26-22(16)17-6-8-18(24)9-7-17/h2-9H,10-15H2,1H3,(H,25,28)/p+1