2-pyridin-1-ium-1-ylethyl 4-chloranylbenzoate

Systemtic Name: 2-pyridin-1-ium-1-ylethyl 4-chloranylbenzoate Openeye Name: 2-pyridin-1-ium-1-ylethyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 2-(1-pyridin-1-iumyl)ethyl ester IUPAC Name: 2-pyridin-1-ium-1-ylethyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 2-pyridin-1-ium-1-ylethyl ester Formula: C14H13ClNO2+ MolecularWeight: 262.71152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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