2-(3,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(2-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-N-(pyridin-1-ium-2-ylmethyl)cinchoninamide Formula: C24H22N3O+ MolecularWeight: 368.45098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=[NH+]4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=[NH+]4)C

InChI

InChI=1S/C24H21N3O/c1-16-10-11-18(13-17(16)2)23-14-21(20-8-3-4-9-22(20)27-23)24(28)26-15-19-7-5-6-12-25-19/h3-14H,15H2,1-2H3,(H,26,28)/p+1