methyl 4-[(2-methylpyridin-1-ium-1-yl)methyl]benzoate chloride

Systemtic Name: methyl 4-[(2-methylpyridin-1-ium-1-yl)methyl]benzoate chloride Openeye Name: methyl 4-[(2-methylpyridin-1-ium-1-yl)methyl]benzoate chloride CAS Name: 4-[(2-methyl-1-pyridin-1-iumyl)methyl]benzoic acid methyl ester chloride IUPAC Name: methyl 4-[(2-methylpyridin-1-ium-1-yl)methyl]benzoate chloride Traditional Name: 4-[(2-methylpyridin-1-ium-1-yl)methyl]benzoic acid methyl ester chloride Formula: C15H16ClNO2 MolecularWeight: 277.74604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC2=CC=C(C=C2)C(=O)OC.[Cl-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC2=CC=C(C=C2)C(=O)OC.[Cl-]

InChI

InChI=1S/C15H16NO2.ClH/c1-12-5-3-4-10-16(12)11-13-6-8-14(9-7-13)15(17)18-2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1