2-[4-[(2-butyl-6-chloranyl-4-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-6-chloranyl-4-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-6-chloro-4-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-chloro-4-methyl-1-oxido-3-pyridin-1-iumyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-chloro-4-methyl-1-oxidopyridin-1-ium-3-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-6-chloro-4-methyl-1-oxido-pyridin-1-ium-3-yl)methyl]phenyl]benzonitrile Formula: C24H23ClN2O MolecularWeight: 390.90522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC(=[N+]1[O-])Cl)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCCCC1=C(C(=CC(=[N+]1[O-])Cl)C)CC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H23ClN2O/c1-3-4-9-23-22(17(2)14-24(25)27(23)28)15-18-10-12-19(13-11-18)21-8-6-5-7-20(21)16-26/h5-8,10-14H,3-4,9,15H2,1-2H3