methyl 4-[(pyridin-1-ium-2-ylamino)methyl]benzoate

Systemtic Name: methyl 4-[(pyridin-1-ium-2-ylamino)methyl]benzoate Openeye Name: methyl 4-[(pyridin-1-ium-2-ylamino)methyl]benzoate CAS Name: 4-[(2-pyridin-1-iumylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(pyridin-1-ium-2-ylamino)methyl]benzoate Traditional Name: 4-[(pyridin-1-ium-2-ylamino)methyl]benzoic acid methyl ester Formula: C14H15N2O2+ MolecularWeight: 243.2811

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=CC=CC=[NH+]2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=CC=CC=[NH+]2

InChI

InChI=1S/C14H14N2O2/c1-18-14(17)12-7-5-11(6-8-12)10-16-13-4-2-3-9-15-13/h2-9H,10H2,1H3,(H,15,16)/p+1