N-(1-methanoyl-2-phenethyl-2-phenyl-piperazin-1-ium-1-yl)quinoline-4-carboxamide

Systemtic Name: N-(1-methanoyl-2-phenethyl-2-phenyl-piperazin-1-ium-1-yl)quinoline-4-carboxamide Openeye Name: N-(1-formyl-2-phenethyl-2-phenyl-piperazin-1-ium-1-yl)quinoline-4-carboxamide CAS Name: N-(1-formyl-2-phenethyl-2-phenyl-1-piperazin-1-iumyl)-4-quinolinecarboxamide IUPAC Name: N-(1-formyl-2-phenethyl-2-phenylpiperazin-1-ium-1-yl)quinoline-4-carboxamide Traditional Name: N-(1-formyl-2-phenethyl-2-phenyl-piperazin-1-ium-1-yl)cinchoninamide Formula: C29H29N4O2+ MolecularWeight: 465.56616

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](C(CN1)(CCC2=CC=CC=C2)C3=CC=CC=C3)(C=O)NC(=O)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

C1C[N+](C(CN1)(CCC2=CC=CC=C2)C3=CC=CC=C3)(C=O)NC(=O)C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C29H28N4O2/c34-22-33(32-28(35)26-16-18-31-27-14-8-7-13-25(26)27)20-19-30-21-29(33,24-11-5-2-6-12-24)17-15-23-9-3-1-4-10-23/h1-14,16,18,22,30H,15,17,19-21H2/p+1