[[4-(dimethylamino)pyridin-1-ium-1-yl]-phenyl-methyl] benzoate chloride

Systemtic Name: [[4-(dimethylamino)pyridin-1-ium-1-yl]-phenyl-methyl] benzoate chloride Openeye Name: [[4-(dimethylamino)pyridin-1-ium-1-yl]-phenyl-methyl] benzoate chloride CAS Name: benzoic acid [[4-(dimethylamino)-1-pyridin-1-iumyl]-phenylmethyl] ester chloride IUPAC Name: [[4-(dimethylamino)pyridin-1-ium-1-yl]-phenylmethyl] benzoate chloride Traditional Name: benzoic acid [[4-(dimethylamino)pyridin-1-ium-1-yl]-phenyl-methyl] ester chloride Formula: C21H21ClN2O2 MolecularWeight: 368.85664

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H21N2O2.ClH/c1-22(2)19-13-15-23(16-14-19)20(17-9-5-3-6-10-17)25-21(24)18-11-7-4-8-12-18;/h3-16,20H,1-2H3;1H/q+1;/p-1