2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide chloride

Systemtic Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-phenoxyphenyl)ethanamide chloride Openeye Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide chloride CAS Name: 2-[4-(dimethylamino)-1-pyridin-1-iumyl]-N-(4-phenoxyphenyl)acetamide chloride IUPAC Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide chloride Traditional Name: 2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(4-phenoxyphenyl)acetamide chloride Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H21N3O2.ClH/c1-23(2)18-12-14-24(15-13-18)16-21(25)22-17-8-10-20(11-9-17)26-19-6-4-3-5-7-19;/h3-15H,16H2,1-2H3;1H