methyl 3-[(1-methylpyridin-1-ium-2-yl)-phenyl-amino]propanoate

Systemtic Name: methyl 3-[(1-methylpyridin-1-ium-2-yl)-phenyl-amino]propanoate Openeye Name: methyl 3-(N-(1-methylpyridin-1-ium-2-yl)anilino)propanoate CAS Name: 3-(N-(1-methyl-2-pyridin-1-iumyl)anilino)propanoic acid methyl ester IUPAC Name: methyl 3-(N-(1-methylpyridin-1-ium-2-yl)anilino)propanoate Traditional Name: 3-(N-(1-methylpyridin-1-ium-2-yl)anilino)propionic acid methyl ester Formula: C16H19N2O2+ MolecularWeight: 271.33426

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1N(CCC(=O)OC)C2=CC=CC=C2

Isomeric SMILES

C[N+]1=CC=CC=C1N(CCC(=O)OC)C2=CC=CC=C2

InChI

InChI=1S/C16H19N2O2/c1-17-12-7-6-10-15(17)18(13-11-16(19)20-2)14-8-4-3-5-9-14/h3-10,12H,11,13H2,1-2H3/q+1