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

Systemtic Name: 2-(4-tert-butylphenyl)-N-[(1-phenethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Openeye Name: 2-(4-tert-butylphenyl)-N-[(1-phenethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide CAS Name: 2-(4-tert-butylphenyl)-N-[(1-phenethyl-4-piperidin-1-iumylidene)amino]-4-quinolinecarboxamide IUPAC Name: 2-(4-tert-butylphenyl)-N-[(1-phenethylpiperidin-1-ium-4-ylidene)amino]quinoline-4-carboxamide Traditional Name: 2-(4-tert-butylphenyl)-N-[(1-phenethylpiperidin-1-ium-4-ylidene)amino]cinchoninamide Formula: C33H37N4O+ MolecularWeight: 505.67308

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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)CCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NN=C4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C33H36N4O/c1-33(2,3)26-15-13-25(14-16-26)31-23-29(28-11-7-8-12-30(28)34-31)32(38)36-35-27-18-21-37(22-19-27)20-17-24-9-5-4-6-10-24/h4-16,23H,17-22H2,1-3H3,(H,36,38)/p+1