2-[chloranyl-(3,4-dimethylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[chloranyl-(3,4-dimethylphenyl)methyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[chloro-(3,4-dimethylphenyl)methyl]-1-oxido-pyridin-1-ium CAS Name: 2-[chloro-(3,4-dimethylphenyl)methyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[chloro-(3,4-dimethylphenyl)methyl]-1-oxidopyridin-1-ium Traditional Name: 2-[chloro-(3,4-dimethylphenyl)methyl]-1-oxido-pyridin-1-ium Formula: C14H14ClNO MolecularWeight: 247.72006

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(C2=CC=CC=[N+]2[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(C2=CC=CC=[N+]2[O-])Cl)C

InChI

InChI=1S/C14H14ClNO/c1-10-6-7-12(9-11(10)2)14(15)13-5-3-4-8-16(13)17/h3-9,14H,1-2H3