N-(2-cyano-1-phenyl-ethyl)-3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-(2-cyano-1-phenyl-ethyl)-3-[(4-methyl-1-oxidanidyl-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-(2-cyano-1-phenyl-ethyl)-3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-(2-cyano-1-phenylethyl)-3-[(4-methyl-1-oxido-1-piperazin-1-iumyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-(2-cyano-1-phenylethyl)-3-[(4-methyl-1-oxidopiperazin-1-ium-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-(2-cyano-1-phenyl-ethyl)-3-[(4-methyl-1-oxido-piperazin-1-ium-1-yl)methyl]-2-phenyl-cinchoninamide Formula: C31H31N5O2 MolecularWeight: 505.61014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](CC1)(CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(CC#N)C5=CC=CC=C5)[O-]

Isomeric SMILES

CN1CC[N+](CC1)(CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)NC(CC#N)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C31H31N5O2/c1-35-18-20-36(38,21-19-35)22-26-29(31(37)34-27(16-17-32)23-10-4-2-5-11-23)25-14-8-9-15-28(25)33-30(26)24-12-6-3-7-13-24/h2-15,27H,16,18-22H2,1H3,(H,34,37)