2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 3,5-bis(chloranyl)benzoate

Systemtic Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 3,5-bis(chloranyl)benzoate Openeye Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 3,5-dichlorobenzoate CAS Name: 3,5-dichlorobenzoic acid 2-[(5-cyano-2-pyridin-1-iumyl)-methylamino]ethyl ester IUPAC Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methylamino]ethyl 3,5-dichlorobenzoate Traditional Name: 3,5-dichlorobenzoic acid 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl ester Formula: C16H14Cl2N3O2+ MolecularWeight: 351.20726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13Cl2N3O2/c1-21(15-3-2-11(9-19)10-20-15)4-5-23-16(22)12-6-13(17)8-14(18)7-12/h2-3,6-8,10H,4-5H2,1H3/p+1