N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(2R)-2-(4-ethylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-phenyl-cinchoninamide Formula: C30H32N3O+ MolecularWeight: 450.59458

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)[NH+]5CCCC5

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CC=C4)[NH+]5CCCC5

InChI

InChI=1S/C30H31N3O/c1-2-22-14-16-24(17-15-22)29(33-18-8-9-19-33)21-31-30(34)26-20-28(23-10-4-3-5-11-23)32-27-13-7-6-12-25(26)27/h3-7,10-17,20,29H,2,8-9,18-19,21H2,1H3,(H,31,34)/p+1/t29-/m0/s1