2-[4-[(2-butyl-6-chloranyl-4,5-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]phenyl]benzenecarbonitrile

Systemtic Name: 2-[4-[(2-butyl-6-chloranyl-4,5-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[(2-butyl-6-chloro-4,5-dimethyl-1-oxido-pyridin-1-ium-3-yl)methyl]phenyl]benzonitrile CAS Name: 2-[4-[(2-butyl-6-chloro-4,5-dimethyl-1-oxido-3-pyridin-1-iumyl)methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[(2-butyl-6-chloro-4,5-dimethyl-1-oxidopyridin-1-ium-3-yl)methyl]phenyl]benzonitrile Traditional Name: 2-[4-[(2-butyl-6-chloro-4,5-dimethyl-1-oxido-pyridin-1-ium-3-yl)methyl]phenyl]benzonitrile Formula: C25H25ClN2O MolecularWeight: 404.9318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=[N+](C(=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)C)Cl)[O-]

Isomeric SMILES

CCCCC1=[N+](C(=C(C(=C1CC2=CC=C(C=C2)C3=CC=CC=C3C#N)C)C)Cl)[O-]

InChI

InChI=1S/C25H25ClN2O/c1-4-5-10-24-23(17(2)18(3)25(26)28(24)29)15-19-11-13-20(14-12-19)22-9-7-6-8-21(22)16-27/h6-9,11-14H,4-5,10,15H2,1-3H3