6-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 6-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-6-methyl-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide CAS Name: 6-methyl-2-(4-propan-2-ylphenyl)-N-(4-pyridin-1-iumylmethyl)-4-quinolinecarboxamide IUPAC Name: 6-methyl-2-(4-propan-2-ylphenyl)-N-(pyridin-1-ium-4-ylmethyl)quinoline-4-carboxamide Traditional Name: 6-methyl-2-p-cumenyl-N-(pyridin-1-ium-4-ylmethyl)cinchoninamide Formula: C26H26N3O+ MolecularWeight: 396.50414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=[NH+]C=C3)C4=CC=C(C=C4)C(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=CC=[NH+]C=C3)C4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H25N3O/c1-17(2)20-5-7-21(8-6-20)25-15-23(22-14-18(3)4-9-24(22)29-25)26(30)28-16-19-10-12-27-13-11-19/h4-15,17H,16H2,1-3H3,(H,28,30)/p+1