6-bromanyl-2-(4-ethylphenyl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-ethylphenyl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-ethylphenyl)-N-pyridin-1-ium-4-yl-quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-ethylphenyl)-N-(4-pyridin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-ethylphenyl)-N-pyridin-1-ium-4-ylquinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-ethylphenyl)-N-pyridin-1-ium-4-yl-cinchoninamide Formula: C23H19BrN3O+ MolecularWeight: 433.32046

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=[NH+]C=C4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4=CC=[NH+]C=C4

InChI

InChI=1S/C23H18BrN3O/c1-2-15-3-5-16(6-4-15)22-14-20(19-13-17(24)7-8-21(19)27-22)23(28)26-18-9-11-25-12-10-18/h3-14H,2H2,1H3,(H,25,26,28)/p+1