2-(4-propylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-(4-propylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(4-propylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide CAS Name: 2-(4-propylphenyl)-N-(4-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-(4-propylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(4-propylphenyl)-N-(pyridin-1-ium-4-ylmethyl)cinchoninamide Formula: C25H24N3O+ MolecularWeight: 382.47756

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=[NH+]C=C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=[NH+]C=C4

InChI

InChI=1S/C25H23N3O/c1-2-5-18-8-10-20(11-9-18)24-16-22(21-6-3-4-7-23(21)28-24)25(29)27-17-19-12-14-26-15-13-19/h3-4,6-16H,2,5,17H2,1H3,(H,27,29)/p+1