2-(1-oxidanidylpyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]oxirane-2-carbonitrile

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]oxirane-2-carbonitrile Openeye Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)oxirane-2-carbonitrile CAS Name: 2-(1-oxido-4-pyridin-1-iumyl)-3-[3-(6-propan-2-yl-8-quinolinyl)phenyl]-2-oxiranecarbonitrile IUPAC Name: 2-(1-oxidopyridin-1-ium-4-yl)-3-[3-(6-propan-2-ylquinolin-8-yl)phenyl]oxirane-2-carbonitrile Traditional Name: 3-[3-(6-isopropyl-8-quinolyl)phenyl]-2-(1-oxidopyridin-1-ium-4-yl)oxirane-2-carbonitrile Formula: C26H21N3O2 MolecularWeight: 407.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4C(O4)(C#N)C5=CC=[N+](C=C5)[O-]

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C=CC=N2)C3=CC(=CC=C3)C4C(O4)(C#N)C5=CC=[N+](C=C5)[O-]

InChI

InChI=1S/C26H21N3O2/c1-17(2)21-14-19-7-4-10-28-24(19)23(15-21)18-5-3-6-20(13-18)25-26(16-27,31-25)22-8-11-29(30)12-9-22/h3-15,17,25H,1-2H3