(E)-[2-oxidanylidene-4-(phenylmethyl)pyrrolidin-1-yl]-pyridin-2-yl-(2-quinolin-4-ylethylidene)azanium

Systemtic Name: (E)-[2-oxidanylidene-4-(phenylmethyl)pyrrolidin-1-yl]-pyridin-2-yl-(2-quinolin-4-ylethylidene)azanium Openeye Name: (E)-(4-benzyl-2-oxo-pyrrolidin-1-yl)-(2-pyridyl)-[2-(4-quinolyl)ethylidene]ammonium CAS Name: (E)-[2-oxo-4-(phenylmethyl)-1-pyrrolidinyl]-(2-pyridinyl)-[2-(4-quinolinyl)ethylidene]ammonium IUPAC Name: (E)-(4-benzyl-2-oxopyrrolidin-1-yl)-pyridin-2-yl-(2-quinolin-4-ylethylidene)azanium Traditional Name: (E)-(4-benzyl-2-keto-pyrrolidino)-(2-pyridyl)-[2-(4-quinolyl)ethylidene]ammonium Formula: C27H25N4O+ MolecularWeight: 421.5136

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)[N+](=CCC2=CC=NC3=CC=CC=C23)C4=CC=CC=N4)CC5=CC=CC=C5

Isomeric SMILES

C1C(CN(C1=O)/[N+](=C/CC2=CC=NC3=CC=CC=C23)/C4=CC=CC=N4)CC5=CC=CC=C5

InChI

InChI=1S/C27H25N4O/c32-27-19-22(18-21-8-2-1-3-9-21)20-31(27)30(26-12-6-7-15-29-26)17-14-23-13-16-28-25-11-5-4-10-24(23)25/h1-13,15-17,22H,14,18-20H2/q+1/b30-17+