2-(4-tert-butylphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(1-methyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C26H31N4O+ MolecularWeight: 415.55054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O/c1-26(2,3)19-11-9-18(10-12-19)24-17-22(21-7-5-6-8-23(21)27-24)25(31)29-28-20-13-15-30(4)16-14-20/h5-12,17H,13-16H2,1-4H3,(H,29,31)/p+1