N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: 2-(4-isopropylphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: N-[(1-methyl-4-piperidin-1-iumylidene)amino]-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-[(1-methylpiperidin-1-ium-4-ylidene)amino]-2-p-cumenyl-cinchoninamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)C

InChI

InChI=1S/C25H28N4O/c1-17(2)18-8-10-19(11-9-18)24-16-22(21-6-4-5-7-23(21)26-24)25(30)28-27-20-12-14-29(3)15-13-20/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)/p+1