(4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: (4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: (4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid (4-chlorobenzyl) ester Formula: C14H13ClNO2+ MolecularWeight: 262.71152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)OCC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)OCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClNO2/c15-13-6-4-12(5-7-13)11-18-14(17)10-16-8-2-1-3-9-16/h1-9H,10-11H2/q+1